#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f23 n GLU 4 N 0.00 0.88 -3.99 -0.14 0.28 -1.26 -5.01 120.64 111.39 2f23 n GLU 4 Ca 0.00 0.34 -0.30 0.00 -0.16 0.00 0.00 57.16 57.04 2f23 n GLU 4 Cb 0.00 -2.18 -0.16 0.00 1.43 0.00 0.00 31.44 30.53 2f23 n GLU 4 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2f23 s VAL 5 N -1.52 1.53 -0.11 3.84 1.01 -1.26 -5.10 120.40 118.78 2f23 s VAL 5 Ca 0.76 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 2f23 s VAL 5 Cb -0.41 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 2f23 s VAL 5 CO 0.46 0.33 -0.05 -0.54 0.00 0.00 0.00 175.10 175.30 2f23 s LYS 6 N 1.48 3.23 0.02 2.72 1.02 -1.26 -0.84 119.74 126.11 2f23 s LYS 6 Ca 0.02 -0.53 0.01 0.00 0.02 0.00 0.00 55.97 55.50 2f23 s LYS 6 Cb -0.14 -2.75 -0.02 0.00 -0.52 0.00 0.00 37.83 34.40 2f23 s LYS 6 CO -0.09 0.45 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.22 2f23 s LEU 7 N -0.21 2.18 0.68 3.17 1.43 -0.44 -4.16 118.68 121.34 2f23 s LEU 7 Ca 0.03 -0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 2f23 s LEU 7 Cb -0.13 -0.11 0.07 0.00 0.03 0.00 0.00 46.19 46.06 2f23 s LEU 7 CO 0.03 -0.16 0.97 0.42 0.23 0.00 0.00 176.35 177.84 2f23 s THR 8 N -1.05 2.34 0.29 5.49 -4.23 -0.61 -0.47 115.64 117.40 2f23 s THR 8 Ca -0.08 -0.40 -0.03 0.00 -1.18 0.00 0.00 61.69 60.00 2f23 s THR 8 Cb -0.08 -2.94 0.26 0.00 1.34 0.00 0.00 72.50 71.09 2f23 s THR 8 CO -0.00 0.00 1.96 0.11 -0.54 0.00 0.00 174.62 176.15 2f23 h LYS 9 N -0.48 1.15 -0.47 3.99 1.57 -1.91 -0.91 116.57 119.52 2f23 h LYS 9 Ca -0.43 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.20 2f23 h LYS 9 Cb 1.30 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 2f23 h LYS 9 CO 0.54 0.76 -0.03 0.00 -0.57 0.00 0.00 179.45 180.15 2f23 h ALA 10 N 1.45 0.64 -0.61 3.86 0.00 -1.93 -1.12 119.26 121.56 2f23 h ALA 10 Ca 0.32 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2f23 h ALA 10 Cb -0.14 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 2f23 h ALA 10 CO -0.07 0.46 0.28 0.78 0.00 0.00 0.00 179.25 180.70 2f23 h GLY 11 N 0.70 0.96 0.91 0.00 0.00 -1.57 -0.53 103.07 103.53 2f23 h GLY 11 Ca 0.13 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 2f23 h GLY 11 CO 0.03 0.46 0.10 -1.82 0.00 0.00 0.00 176.54 175.31 2f23 h TYR 12 N 0.84 0.38 -0.39 5.60 3.20 -1.08 -2.11 116.97 123.41 2f23 h TYR 12 Ca 0.21 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.11 2f23 h TYR 12 Cb 0.15 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.26 2f23 h TYR 12 CO 0.00 0.39 0.10 1.49 -1.64 0.00 0.00 178.16 178.50 2f23 h GLU 13 N 0.25 0.23 -0.20 1.82 4.81 -0.89 -0.00 114.58 120.60 2f23 h GLU 13 Ca 0.08 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2f23 h GLU 13 Cb 0.18 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2f23 h GLU 13 CO -0.01 0.15 0.12 0.00 -0.73 0.00 0.00 179.01 178.55 2f23 h ARG 14 N 0.23 0.27 -0.48 1.92 3.08 -0.96 -1.15 114.38 117.29 2f23 h ARG 14 Ca 0.18 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 2f23 h ARG 14 Cb 0.20 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 2f23 h ARG 14 CO -0.22 0.21 -0.01 -0.07 -1.07 0.00 0.00 179.97 178.80 2f23 h LEU 15 N 0.25 0.78 -0.56 3.04 3.38 -1.07 -0.55 115.31 120.57 2f23 h LEU 15 Ca 0.07 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 2f23 h LEU 15 Cb 0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2f23 h LEU 15 CO -0.01 0.85 -0.07 -0.03 0.09 0.00 0.00 178.44 179.27 2f23 h MET 16 N 0.75 1.04 -0.69 1.13 4.05 -0.81 0.82 114.93 121.22 2f23 h MET 16 Ca 0.14 -0.37 -0.05 0.00 -0.28 0.00 0.00 59.70 59.15 2f23 h MET 16 Cb 0.47 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.17 2f23 h MET 16 CO 0.02 1.06 0.24 1.96 0.23 0.00 0.00 176.91 180.42 2f23 h GLN 17 N 0.93 1.06 -0.75 0.39 4.20 -0.95 -0.82 115.11 119.16 2f23 h GLN 17 Ca 0.15 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 2f23 h GLN 17 Cb 0.64 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 2f23 h GLN 17 CO 0.04 0.90 0.30 0.37 -0.67 0.00 0.00 178.83 179.77 2f23 h GLN 18 N 1.00 1.13 -0.74 1.46 4.15 -0.72 -2.01 115.11 119.38 2f23 h GLN 18 Ca 0.23 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 2f23 h GLN 18 Cb 0.27 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.74 2f23 h GLN 18 CO -0.01 0.93 0.42 1.25 -1.93 0.00 0.00 178.83 179.49 2f23 h LEU 19 N 1.09 0.92 -0.78 -2.39 5.85 -0.30 -0.14 115.31 119.56 2f23 h LEU 19 Ca 0.25 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2f23 h LEU 19 Cb 0.22 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2f23 h LEU 19 CO -0.02 0.73 0.42 -0.33 -0.34 0.00 0.00 178.44 178.91 2f23 h GLU 20 N 1.02 1.09 -0.61 1.25 4.39 -0.75 -0.40 114.58 120.56 2f23 h GLU 20 Ca 0.26 -0.13 -0.09 0.00 0.34 0.00 0.00 59.36 59.74 2f23 h GLU 20 Cb 0.01 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.42 2f23 h GLU 20 CO -0.05 0.81 0.03 0.00 -1.16 0.00 0.00 179.01 178.64 2f23 h ARG 21 N 1.08 1.06 -0.32 2.33 -0.00 -0.91 -2.36 114.38 115.26 2f23 h ARG 21 Ca 0.27 -0.32 -0.09 0.00 -0.50 0.00 0.00 59.98 59.35 2f23 h ARG 21 Cb 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 29.97 29.89 2f23 h ARG 21 CO -0.04 1.02 -0.16 0.93 0.00 0.00 0.00 179.97 181.71 2f23 h GLU 22 N 0.97 0.58 -0.37 0.04 4.39 -0.48 -1.80 114.58 117.92 2f23 h GLU 22 Ca 0.18 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 2f23 h GLU 22 Cb 0.52 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 2f23 h GLU 22 CO 0.03 0.72 -0.07 0.00 -1.16 0.00 0.00 179.01 178.53 2f23 h ARG 23 N 0.53 0.61 -0.40 2.33 3.08 -0.78 -0.11 114.38 119.63 2f23 h ARG 23 Ca 0.09 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 2f23 h ARG 23 Cb 0.58 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2f23 h ARG 23 CO 0.04 0.68 0.10 0.93 -1.07 0.00 0.00 179.97 180.64 2f23 h GLU 24 N 0.57 0.65 -0.37 0.04 5.08 -0.91 -1.48 114.58 118.16 2f23 h GLU 24 Ca 0.11 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2f23 h GLU 24 Cb 0.46 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2f23 h GLU 24 CO 0.02 0.67 -0.01 0.00 -1.00 0.00 0.00 179.01 178.69 2f23 h ARG 25 N 0.51 0.58 -0.50 2.33 3.08 -0.90 -2.28 114.38 117.20 2f23 h ARG 25 Ca 0.13 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 2f23 h ARG 25 Cb 0.31 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2f23 h ARG 25 CO 0.00 0.62 -0.07 1.25 -1.07 0.00 0.00 179.97 180.70 2f23 h LEU 26 N 0.56 0.93 -0.58 3.04 5.85 -0.66 0.36 115.31 124.80 2f23 h LEU 26 Ca 0.12 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.50 2f23 h LEU 26 Cb 0.37 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2f23 h LEU 26 CO 0.01 1.05 0.38 -0.61 -0.34 0.00 0.00 178.44 178.93 2f23 h GLN 27 N 0.79 0.75 -0.37 1.25 4.15 -0.93 0.85 115.11 121.61 2f23 h GLN 27 Ca 0.13 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.46 2f23 h GLN 27 Cb 0.62 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 2f23 h GLN 27 CO 0.04 0.50 0.06 0.93 -1.93 0.00 0.00 178.83 178.43 2f23 h GLU 28 N 0.78 0.61 -0.36 1.69 5.08 -1.20 -1.49 114.58 119.69 2f23 h GLU 28 Ca 0.22 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2f23 h GLU 28 Cb -0.08 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2f23 h GLU 28 CO -0.05 0.67 0.05 0.00 -1.00 0.00 0.00 179.01 178.68 2f23 h ALA 29 N 0.91 1.42 -0.26 3.43 0.00 -0.54 -1.32 119.26 122.90 2f23 h ALA 29 Ca 0.11 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 2f23 h ALA 29 Cb 0.35 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2f23 h ALA 29 CO 0.01 0.41 -0.56 1.15 0.00 0.00 0.00 179.25 180.27 2f23 h THR 30 N 0.52 1.28 -0.43 0.00 2.02 -0.62 -1.98 112.91 113.70 2f23 h THR 30 Ca 0.12 -1.74 -0.01 0.00 0.77 0.00 0.00 66.41 65.54 2f23 h THR 30 Cb 0.26 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2f23 h THR 30 CO 0.00 0.56 0.23 0.50 0.37 0.00 0.00 175.52 177.19 2f23 h LYS 31 N 0.60 0.60 -0.43 6.66 3.64 -0.85 -0.42 116.57 126.39 2f23 h LYS 31 Ca 0.00 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2f23 h LYS 31 Cb 1.17 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 2f23 h LYS 31 CO 0.12 0.48 0.27 0.82 -2.27 0.00 0.00 179.45 178.87 2f23 h ILE 32 N 0.56 1.07 -0.36 2.00 2.04 -1.21 -0.67 117.51 120.94 2f23 h ILE 32 Ca 0.15 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2f23 h ILE 32 Cb 0.06 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2f23 h ILE 32 CO -0.02 0.10 0.21 0.25 0.00 0.00 0.00 178.15 178.68 2f23 h LEU 33 N 0.54 0.44 -0.65 1.44 5.85 -1.04 -1.85 115.31 120.03 2f23 h LEU 33 Ca 0.17 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2f23 h LEU 33 Cb -0.02 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 2f23 h LEU 33 CO -0.06 0.38 0.43 -0.61 -0.34 0.00 0.00 178.44 178.23 2f23 h GLN 34 N 0.46 0.86 -0.67 1.25 5.75 -0.76 -0.64 115.11 121.35 2f23 h GLN 34 Ca 0.13 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.59 2f23 h GLN 34 Cb 0.03 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.35 2f23 h GLN 34 CO -0.02 0.58 0.44 0.93 -2.65 0.00 0.00 178.83 178.10 2f23 h GLU 35 N 0.89 0.86 -0.13 1.69 4.39 -0.86 -1.66 114.58 119.76 2f23 h GLU 35 Ca 0.24 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.78 2f23 h GLU 35 Cb -0.09 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.35 2f23 h GLU 35 CO -0.05 0.57 -0.39 -0.07 -1.16 0.00 0.00 179.01 177.91 2f23 h LEU 36 N 0.88 0.30 -1.00 1.33 3.38 -0.88 -1.16 115.31 118.17 2f23 h LEU 36 Ca 0.25 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 2f23 h LEU 36 Cb -0.06 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2f23 h LEU 36 CO -0.07 0.66 -0.48 0.24 0.09 0.00 0.00 178.44 178.89 2f23 h MET 37 N 0.24 0.06 -0.19 1.13 2.86 -0.62 -2.87 114.93 115.53 2f23 h MET 37 Ca 0.02 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2f23 h MET 37 Cb 0.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.46 2f23 h MET 37 CO 0.06 0.52 0.00 0.39 1.06 0.00 0.00 176.91 178.94 2f23 n GLU 38 N -3.97 2.24 -2.20 1.72 1.02 -0.67 -4.97 120.64 113.81 2f23 n GLU 38 Ca -0.02 -1.85 -0.36 0.00 -0.02 0.00 0.00 57.16 54.92 2f23 n GLU 38 Cb 0.50 -1.48 0.01 0.00 -0.02 0.00 0.00 31.44 30.45 2f23 n GLU 38 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2f23 s SER 39 N -1.73 5.70 -0.01 1.62 1.04 -0.47 -4.96 113.70 114.89 2f23 s SER 39 Ca 0.34 2.26 0.22 0.00 0.48 0.00 0.00 55.95 59.24 2f23 s SER 39 Cb 0.21 -2.59 -0.27 0.00 0.10 0.00 0.00 66.02 63.47 2f23 s SER 39 CO 0.31 -1.24 0.72 -1.54 0.98 0.00 0.00 173.24 172.47 2f23 n SER 40 N -1.19 0.55 -4.22 7.02 3.41 -1.26 -4.75 113.62 113.18 2f23 n SER 40 Ca 0.11 -0.53 -0.42 0.00 -0.26 0.00 0.00 58.87 57.77 2f23 n SER 40 Cb 0.50 1.43 -0.06 0.00 -0.26 0.00 0.00 64.21 65.82 2f23 n SER 40 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2f23 s ASP 41 N -3.70 5.98 -0.56 4.04 1.01 -1.26 -5.01 116.67 117.17 2f23 s ASP 41 Ca 0.01 -2.56 0.01 0.00 0.71 0.00 0.00 52.55 50.72 2f23 s ASP 41 Cb 0.15 -2.04 0.14 0.00 1.01 0.00 0.00 42.92 42.18 2f23 s ASP 41 CO 0.88 -0.53 0.34 -0.62 0.21 0.00 0.00 175.17 175.45 2f23 s ASP 42 N 1.79 4.74 0.13 0.27 -1.08 -1.26 -4.91 116.67 116.35 2f23 s ASP 42 Ca 0.15 -2.92 -0.15 0.00 -0.52 0.00 0.00 52.55 49.10 2f23 s ASP 42 Cb -0.18 -1.74 -0.01 0.00 -1.46 0.00 0.00 42.92 39.53 2f23 s ASP 42 CO -0.05 -0.30 1.62 1.88 0.52 0.00 0.00 175.17 178.84 2f23 h TYR 43 N 6.76 0.70 -3.21 -5.34 -1.99 -2.02 -3.47 116.97 108.41 2f23 h TYR 43 Ca -0.05 -0.09 -0.08 0.00 2.00 0.00 0.00 58.73 60.51 2f23 h TYR 43 Cb 0.92 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 39.45 2f23 h TYR 43 CO 0.60 0.68 0.20 0.16 -0.00 0.00 0.00 178.16 179.79 2f23 s ASP 44 N -6.04 0.22 0.00 3.88 -4.77 -1.26 -5.06 116.67 103.63 2f23 s ASP 44 Ca -0.13 -1.26 0.20 0.00 -3.30 0.00 0.00 52.55 48.05 2f23 s ASP 44 Cb 0.10 0.83 0.53 0.00 -1.09 0.00 0.00 42.92 43.30 2f23 s ASP 44 CO 0.77 -1.66 1.45 -0.90 0.70 0.00 0.00 175.17 175.53 2f23 n ASP 45 N -1.51 3.16 -0.20 2.11 5.68 -1.26 -4.48 116.55 120.04 2f23 n ASP 45 Ca -0.07 -1.98 -0.02 0.00 -0.50 0.00 0.00 54.79 52.22 2f23 n ASP 45 Cb 0.60 -0.36 0.09 0.00 -1.14 0.00 0.00 41.12 40.31 2f23 n ASP 45 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 2f23 h SER 46 N 3.59 0.40 -0.59 -1.12 0.87 -1.99 -0.73 113.55 113.98 2f23 h SER 46 Ca 0.00 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 2f23 h SER 46 Cb 0.81 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 2f23 h SER 46 CO 0.00 0.26 0.13 1.23 -0.53 0.00 0.00 176.83 177.92 2f23 h GLY 47 N 0.54 1.02 0.97 5.77 0.00 -2.00 -1.69 103.07 107.69 2f23 h GLY 47 Ca 0.28 -0.66 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 2f23 h GLY 47 CO -0.21 0.61 0.12 1.41 0.00 0.00 0.00 176.54 178.46 2f23 h LEU 48 N 0.86 0.73 -0.74 3.11 3.38 -1.75 -1.17 115.31 119.73 2f23 h LEU 48 Ca 0.18 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2f23 h LEU 48 Cb 0.37 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2f23 h LEU 48 CO 0.00 0.78 0.32 -0.33 0.09 0.00 0.00 178.44 179.31 2f23 h GLU 49 N 0.66 1.09 -0.59 1.13 4.39 -1.00 -0.17 114.58 120.07 2f23 h GLU 49 Ca 0.15 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 2f23 h GLU 49 Cb 0.33 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 2f23 h GLU 49 CO 0.00 0.87 0.05 0.00 -1.16 0.00 0.00 179.01 178.77 2f23 h ALA 50 N 1.16 0.96 -0.58 3.43 0.00 -1.13 -0.11 119.26 122.99 2f23 h ALA 50 Ca 0.25 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2f23 h ALA 50 Cb 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2f23 h ALA 50 CO -0.03 0.64 0.01 0.00 0.00 0.00 0.00 179.25 179.88 2f23 h ALA 51 N 1.12 0.78 -0.27 0.00 0.00 -0.76 -1.20 119.26 118.93 2f23 h ALA 51 Ca 0.18 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 2f23 h ALA 51 Cb 0.47 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2f23 h ALA 51 CO 0.02 0.60 -0.36 0.87 0.00 0.00 0.00 179.25 180.38 2f23 h LYS 52 N 0.91 0.60 -0.62 0.00 1.57 -0.77 -1.94 116.57 116.32 2f23 h LYS 52 Ca 0.17 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 2f23 h LYS 52 Cb 0.53 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2f23 h LYS 52 CO 0.03 0.88 0.04 0.37 -0.57 0.00 0.00 179.45 180.20 2f23 h GLN 53 N 0.51 1.07 -0.36 3.15 4.15 -0.73 -1.48 115.11 121.42 2f23 h GLN 53 Ca 0.05 -0.32 -0.16 0.00 0.77 0.00 0.00 58.65 58.99 2f23 h GLN 53 Cb 0.86 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.44 2f23 h GLN 53 CO 0.07 1.02 -0.41 1.49 -1.93 0.00 0.00 178.83 179.08 2f23 h GLU 54 N 0.98 0.91 -0.66 1.69 4.57 -1.14 -1.34 114.58 119.60 2f23 h GLU 54 Ca 0.18 -0.50 -0.01 0.00 -1.18 0.00 0.00 59.36 57.85 2f23 h GLU 54 Cb 0.51 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.10 2f23 h GLU 54 CO 0.02 1.15 0.38 -0.22 -1.18 0.00 0.00 179.01 179.16 2f23 h LYS 55 N 0.72 0.91 -0.44 1.92 3.64 -1.22 -1.80 116.57 120.30 2f23 h LYS 55 Ca 0.05 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 2f23 h LYS 55 Cb 1.01 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 2f23 h LYS 55 CO 0.10 0.67 -0.09 0.00 -2.27 0.00 0.00 179.45 177.86 2f23 h ALA 56 N 1.19 1.02 -0.48 5.00 0.00 -1.14 -1.00 119.26 123.85 2f23 h ALA 56 Ca 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2f23 h ALA 56 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2f23 h ALA 56 CO -0.04 0.59 0.28 -0.09 0.00 0.00 0.00 179.25 179.99 2f23 h ARG 57 N 0.71 0.66 -0.27 0.00 2.43 -0.75 -1.34 114.38 115.81 2f23 h ARG 57 Ca 0.12 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2f23 h ARG 57 Cb 0.56 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 2f23 h ARG 57 CO 0.03 0.50 -0.03 0.82 -1.51 0.00 0.00 179.97 179.79 2f23 h ILE 58 N 0.64 1.27 -0.92 1.20 2.04 -1.11 -2.82 117.51 117.80 2f23 h ILE 58 Ca 0.17 -0.99 0.08 0.00 1.00 0.00 0.00 64.86 65.12 2f23 h ILE 58 Cb 0.02 1.37 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 2f23 h ILE 58 CO -0.03 0.31 0.60 -0.33 0.00 0.00 0.00 178.15 178.70 2f23 h GLU 59 N 0.27 0.97 -0.53 2.37 5.08 -0.95 -0.88 114.58 120.90 2f23 h GLU 59 Ca 0.07 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 2f23 h GLU 59 Cb 0.47 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2f23 h GLU 59 CO 0.02 0.64 0.03 0.00 -1.00 0.00 0.00 179.01 178.70 2f23 h ALA 60 N 1.52 1.05 -0.34 3.43 0.00 -1.11 -0.72 119.26 123.08 2f23 h ALA 60 Ca 0.41 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2f23 h ALA 60 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2f23 h ALA 60 CO -0.17 0.60 -0.16 0.00 0.00 0.00 0.00 179.25 179.52 2f23 h ARG 61 N 0.82 0.71 -0.84 0.00 3.08 -1.05 -2.45 114.38 114.66 2f23 h ARG 61 Ca 0.16 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 2f23 h ARG 61 Cb 0.45 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 2f23 h ARG 61 CO 0.02 0.91 0.45 0.82 -1.07 0.00 0.00 179.97 181.10 2f23 h ILE 62 N 0.49 1.25 -0.69 2.04 2.04 -0.91 -0.65 117.51 121.08 2f23 h ILE 62 Ca 0.08 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 2f23 h ILE 62 Cb 0.69 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 2f23 h ILE 62 CO 0.05 0.28 0.29 0.44 0.00 0.00 0.00 178.15 179.21 2f23 h ASP 63 N 1.17 0.94 -0.48 1.72 3.32 -1.03 0.14 116.42 122.19 2f23 h ASP 63 Ca 0.29 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 2f23 h ASP 63 Cb 0.04 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 2f23 h ASP 63 CO -0.05 0.85 0.02 0.28 -1.72 0.00 0.00 179.24 178.62 2f23 h SER 64 N 0.98 0.82 -0.46 6.45 0.02 -1.03 -1.26 113.55 119.07 2f23 h SER 64 Ca 0.23 -0.30 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 2f23 h SER 64 Cb 0.19 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 2f23 h SER 64 CO -0.02 0.91 0.07 -0.07 -1.14 0.00 0.00 176.83 176.58 2f23 h LEU 65 N 0.70 0.74 -1.03 5.07 3.38 -0.85 -1.88 115.31 121.44 2f23 h LEU 65 Ca 0.14 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2f23 h LEU 65 Cb 0.48 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2f23 h LEU 65 CO 0.02 0.82 0.02 -0.33 0.09 0.00 0.00 178.44 179.05 2f23 h GLU 66 N 0.64 0.71 0.11 1.13 5.08 -0.89 -0.62 114.58 120.74 2f23 h GLU 66 Ca 0.14 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2f23 h GLU 66 Cb 0.39 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2f23 h GLU 66 CO 0.01 0.72 -0.05 0.22 -1.00 0.00 0.00 179.01 178.90 2f23 h ASP 67 N 0.67 -0.12 -0.16 1.42 -0.00 -0.96 -0.90 116.42 116.36 2f23 h ASP 67 Ca 0.14 -0.14 -0.01 0.00 -0.00 0.00 0.00 57.03 57.01 2f23 h ASP 67 Cb 0.39 0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 39.75 2f23 h ASP 67 CO 0.01 0.07 0.05 0.40 -0.00 0.00 0.00 179.24 179.77 2f23 h ILE 68 N -0.31 1.18 -0.65 2.25 2.04 -1.20 -2.73 117.51 118.09 2f23 h ILE 68 Ca -0.01 -0.58 -0.06 0.00 1.00 0.00 0.00 64.86 65.21 2f23 h ILE 68 Cb 0.26 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 2f23 h ILE 68 CO 0.02 0.18 0.18 -0.07 0.00 0.00 0.00 178.15 178.46 2f23 h LEU 69 N 0.09 0.95 -1.06 1.44 3.38 -1.13 -1.41 115.31 117.57 2f23 h LEU 69 Ca 0.05 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2f23 h LEU 69 Cb 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2f23 h LEU 69 CO -0.00 0.90 -0.29 0.77 0.09 0.00 0.00 178.44 179.91 2f23 h SER 70 N 0.97 0.00 -0.02 -0.43 4.64 -1.13 -3.14 113.55 114.44 2f23 h SER 70 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2f23 h SER 70 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2f23 h SER 70 CO -0.00 0.29 -0.26 0.54 -0.87 0.00 0.00 176.83 176.53 2f23 n ARG 71 N -3.48 1.58 -2.14 4.77 1.74 -1.03 -5.01 116.66 113.09 2f23 n ARG 71 Ca -0.00 -1.15 -0.39 0.00 -0.77 0.00 0.00 57.85 55.54 2f23 n ARG 71 Cb 0.46 -1.36 -0.01 0.00 -1.02 0.00 0.00 32.46 30.53 2f23 n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2f23 s ALA 72 N -1.96 3.23 -0.18 7.54 0.00 -0.55 -4.39 121.76 125.44 2f23 s ALA 72 Ca 0.18 1.14 -0.04 0.00 0.00 0.00 0.00 51.96 53.24 2f23 s ALA 72 Cb 0.15 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 2f23 s ALA 72 CO 0.40 -0.71 -0.03 0.08 0.00 0.00 0.00 175.76 175.49 2f23 s VAL 73 N -1.30 3.78 -0.28 0.00 1.01 -0.02 -4.96 120.40 118.62 2f23 s VAL 73 Ca 0.57 -0.38 -0.25 0.00 0.00 0.00 0.00 61.98 61.91 2f23 s VAL 73 Cb -0.36 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.35 2f23 s VAL 73 CO 0.45 0.46 0.85 -0.63 0.00 0.00 0.00 175.10 176.24 2f23 s ILE 74 N 0.76 4.77 0.58 2.22 -1.09 -1.26 -1.33 121.20 125.85 2f23 s ILE 74 Ca -0.01 1.44 -0.13 0.00 -2.23 0.00 0.00 60.65 59.71 2f23 s ILE 74 Cb -0.14 -4.18 -0.05 0.00 -1.58 0.00 0.00 42.46 36.50 2f23 s ILE 74 CO 0.02 -0.21 1.01 -0.76 -1.23 0.00 0.00 174.94 173.77 2f23 s LEU 75 N 3.02 3.39 0.44 2.97 1.43 0.38 -4.97 118.68 125.34 2f23 s LEU 75 Ca 0.36 1.50 -0.22 0.00 -1.03 0.00 0.00 54.13 54.73 2f23 s LEU 75 Cb -0.14 -4.49 -0.08 0.00 0.03 0.00 0.00 46.19 41.50 2f23 s LEU 75 CO 0.11 -0.78 1.06 -0.70 0.23 0.00 0.00 176.35 176.27 2f23 s GLU 76 N -4.70 3.97 0.88 1.70 2.12 -1.26 -4.44 118.70 116.96 2f23 s GLU 76 Ca 0.57 1.50 -0.11 0.00 0.36 0.00 0.00 54.97 57.29 2f23 s GLU 76 Cb -0.11 -2.36 0.12 0.00 0.26 0.00 0.00 34.13 32.05 2f23 s GLU 76 CO 0.44 -0.31 1.16 -2.00 -0.54 0.00 0.00 175.26 174.01 2f23 s GLU 77 N -2.79 1.26 -1.21 4.30 2.56 -1.26 -3.36 118.70 118.20 2f23 s GLU 77 Ca 0.62 1.58 -0.08 0.00 0.00 0.00 0.00 54.97 57.09 2f23 s GLU 77 Cb -0.21 -1.75 0.06 0.00 2.00 0.00 0.00 34.13 34.23 2f23 s GLU 77 CO 0.26 -2.46 0.40 0.41 -0.56 0.00 0.00 175.26 173.31 2f23 n GLY 78 N 0.20 -0.49 3.94 -1.50 0.00 -1.26 -4.96 105.19 101.12 2f23 n GLY 78 Ca 0.12 0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 2f23 n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2f23 s SER 79 N -2.61 6.36 0.87 1.61 1.04 -1.21 -5.00 113.70 114.76 2f23 s SER 79 Ca 0.34 0.34 0.00 0.00 0.48 0.00 0.00 55.95 57.11 2f23 s SER 79 Cb -0.18 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 63.96 2f23 s SER 79 CO 0.42 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.18 2f23 n GLY 80 N -0.89 0.72 3.91 7.32 0.00 -1.26 -4.72 105.19 110.27 2f23 n GLY 80 Ca -0.05 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 2f23 n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f23 s GLU 81 N 0.00 2.79 -0.02 1.61 2.02 -1.26 -5.07 118.70 118.77 2f23 s GLU 81 Ca 0.00 0.08 0.05 0.00 0.02 0.00 0.00 54.97 55.12 2f23 s GLU 81 Cb 0.00 -2.19 -0.01 0.00 0.10 0.00 0.00 34.13 32.03 2f23 s GLU 81 CO 0.00 -0.87 -0.17 0.54 0.02 0.00 0.00 175.26 174.78 2f23 s VAL 82 N -3.13 1.35 -0.02 2.63 0.11 -1.26 -4.44 120.40 115.65 2f23 s VAL 82 Ca 0.56 -0.71 -0.30 0.00 -2.93 0.00 0.00 61.98 58.59 2f23 s VAL 82 Cb -0.11 -1.14 -0.06 0.00 -1.53 0.00 0.00 36.38 33.55 2f23 s VAL 82 CO 0.47 0.39 1.56 -0.63 -3.33 0.00 0.00 175.10 173.56 2f23 s ILE 83 N -0.26 3.53 0.09 7.04 1.01 -0.41 -4.89 121.20 127.32 2f23 s ILE 83 Ca 0.03 0.81 0.00 0.00 0.00 0.00 0.00 60.65 61.49 2f23 s ILE 83 Cb -0.08 -3.52 -0.00 0.00 0.01 0.00 0.00 42.46 38.87 2f23 s ILE 83 CO 0.00 -0.04 0.11 0.61 0.00 0.00 0.00 174.94 175.63 2f23 n GLY 84 N 3.94 3.11 3.68 6.18 0.00 -1.26 -0.72 105.19 120.12 2f23 n GLY 84 Ca 0.16 -1.52 -0.45 0.00 0.00 0.00 0.00 46.02 44.21 2f23 n GLY 84 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2f23 n LEU 85 N 0.00 3.39 0.00 0.99 7.94 -1.26 -1.34 117.00 126.72 2f23 n LEU 85 Ca 0.01 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.97 2f23 n LEU 85 Cb 0.16 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 42.65 2f23 n LEU 85 CO 0.08 -0.13 0.00 0.61 -1.11 0.00 0.00 177.39 176.84 2f23 n GLY 86 N 3.70 1.90 3.75 -3.96 0.00 0.98 -5.02 105.19 106.53 2f23 n GLY 86 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2f23 n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2f23 s SER 87 N -1.83 7.06 -0.23 1.61 0.01 -0.45 -4.77 113.70 115.10 2f23 s SER 87 Ca 0.00 2.32 -0.10 0.00 1.31 0.00 0.00 55.95 59.48 2f23 s SER 87 Cb 0.00 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 2f23 s SER 87 CO 0.00 -0.36 0.13 -0.69 0.41 0.00 0.00 173.24 172.73 2f23 s VAL 88 N -0.41 5.15 -0.10 3.43 1.01 0.27 -1.35 120.40 128.40 2f23 s VAL 88 Ca 0.51 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.63 2f23 s VAL 88 Cb -0.34 -3.39 -0.00 0.00 0.00 0.00 0.00 36.38 32.65 2f23 s VAL 88 CO 0.40 0.36 -0.23 -0.69 0.00 0.00 0.00 175.10 174.94 2f23 s VAL 89 N 1.01 2.14 -0.20 2.92 1.01 0.18 -1.52 120.40 125.94 2f23 s VAL 89 Ca 0.07 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 2f23 s VAL 89 Cb -0.14 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 2f23 s VAL 89 CO 0.04 0.56 0.22 -1.61 0.00 0.00 0.00 175.10 174.30 2f23 s GLU 90 N 0.30 4.17 0.17 2.72 2.02 -0.17 -1.01 118.70 126.91 2f23 s GLU 90 Ca -0.17 -0.09 0.10 0.00 0.02 0.00 0.00 54.97 54.82 2f23 s GLU 90 Cb -0.18 -3.47 -0.04 0.00 0.10 0.00 0.00 34.13 30.54 2f23 s GLU 90 CO 0.08 0.17 -0.21 -0.51 0.02 0.00 0.00 175.26 174.81 2f23 s LEU 91 N 0.73 2.42 -0.06 1.80 1.43 0.88 -0.61 118.68 125.26 2f23 s LEU 91 Ca 0.12 -0.85 -0.02 0.00 -1.03 0.00 0.00 54.13 52.34 2f23 s LEU 91 Cb -0.13 -1.00 0.04 0.00 0.03 0.00 0.00 46.19 45.13 2f23 s LEU 91 CO 0.03 0.05 0.12 -0.70 0.23 0.00 0.00 176.35 176.08 2f23 s GLU 92 N -2.66 0.03 -0.14 1.70 2.12 -0.46 -1.65 118.70 117.64 2f23 s GLU 92 Ca 0.17 0.41 -0.29 0.00 0.36 0.00 0.00 54.97 55.63 2f23 s GLU 92 Cb -0.07 -0.26 -0.03 0.00 0.26 0.00 0.00 34.13 34.02 2f23 s GLU 92 CO 0.08 -0.24 1.52 0.34 -0.54 0.00 0.00 175.26 176.42 2f23 s ASP 93 N 1.68 6.67 0.59 -1.70 -1.08 0.02 -0.66 116.67 122.19 2f23 s ASP 93 Ca -0.03 1.86 0.37 0.00 -0.52 0.00 0.00 52.55 54.23 2f23 s ASP 93 Cb -0.12 -2.53 1.77 0.00 -1.46 0.00 0.00 42.92 40.57 2f23 s ASP 93 CO -0.05 -0.98 2.14 1.55 0.52 0.00 0.00 175.17 178.35 2f23 h PRO 94 N 9.48 0.00 0.04 4.34 0.13 -1.91 0.32 132.00 144.40 2f23 h PRO 94 Ca -0.33 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.46 2f23 h PRO 94 Cb 1.15 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 2f23 h PRO 94 CO 0.98 0.02 -1.94 1.28 -0.23 0.00 0.00 178.00 178.10 2f23 n LEU 95 N -3.15 1.53 -0.01 1.56 7.99 -1.26 -4.56 117.00 119.10 2f23 n LEU 95 Ca -0.01 0.26 0.06 0.00 -0.01 0.00 0.00 56.01 56.31 2f23 n LEU 95 Cb 0.21 -0.31 -0.09 0.00 -0.11 0.00 0.00 43.42 43.13 2f23 n LEU 95 CO 0.25 0.60 -0.63 -1.54 -1.51 0.00 0.00 177.39 174.56 2f23 n SER 96 N -3.18 2.41 0.00 -1.43 3.41 -1.20 -4.90 113.62 108.74 2f23 n SER 96 Ca -0.26 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 2f23 n SER 96 Cb 1.06 1.51 0.00 0.00 -0.26 0.00 0.00 64.21 66.52 2f23 n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f23 n GLY 97 N 1.86 0.87 3.75 5.00 0.00 0.11 -5.00 105.19 111.78 2f23 n GLY 97 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2f23 n GLY 97 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2f23 s GLU 98 N -0.20 4.13 -0.10 1.61 2.12 -1.25 -4.65 118.70 120.36 2f23 s GLU 98 Ca 0.00 2.56 -0.01 0.00 0.36 0.00 0.00 54.97 57.88 2f23 s GLU 98 Cb 0.00 -3.02 -0.03 0.00 0.26 0.00 0.00 34.13 31.34 2f23 s GLU 98 CO 0.00 -0.61 -0.05 1.03 -0.54 0.00 0.00 175.26 175.09 2f23 s ARG 99 N -0.72 3.05 -0.04 4.30 0.52 -1.26 -0.80 118.95 124.00 2f23 s ARG 99 Ca 0.62 -0.52 -0.06 0.00 -0.52 0.00 0.00 55.73 55.25 2f23 s ARG 99 Cb -0.47 -2.72 0.01 0.00 0.52 0.00 0.00 34.95 32.29 2f23 s ARG 99 CO 0.50 0.55 0.15 -1.17 0.02 0.00 0.00 175.30 175.34 2f23 s LEU 100 N -0.49 1.47 0.10 2.53 2.96 -0.66 -5.01 118.68 119.58 2f23 s LEU 100 Ca 0.08 0.11 0.08 0.00 -0.22 0.00 0.00 54.13 54.18 2f23 s LEU 100 Cb -0.12 0.58 -0.03 0.00 0.50 0.00 0.00 46.19 47.11 2f23 s LEU 100 CO 0.02 -0.17 -0.21 -0.94 -1.32 0.00 0.00 176.35 173.72 2f23 s SER 101 N -0.48 2.60 0.09 3.68 1.04 -1.26 -0.08 113.70 119.29 2f23 s SER 101 Ca -0.06 -0.67 -0.06 0.00 0.48 0.00 0.00 55.95 55.64 2f23 s SER 101 Cb -0.04 -0.15 -0.01 0.00 0.10 0.00 0.00 66.02 65.92 2f23 s SER 101 CO 0.01 0.08 0.14 0.68 0.98 0.00 0.00 173.24 175.13 2f23 s VAL 102 N -1.11 0.15 -0.08 5.02 -7.23 -0.18 -1.96 120.40 115.01 2f23 s VAL 102 Ca 0.07 -1.41 0.01 0.00 -1.81 0.00 0.00 61.98 58.84 2f23 s VAL 102 Cb -0.10 -1.50 0.02 0.00 0.56 0.00 0.00 36.38 35.36 2f23 s VAL 102 CO 0.04 -0.67 -0.10 -1.58 -0.31 0.00 0.00 175.10 172.48 2f23 s GLN 103 N -3.90 1.55 -0.09 4.82 0.74 0.48 0.50 119.66 123.76 2f23 s GLN 103 Ca 0.08 -0.33 -0.30 0.00 0.05 0.00 0.00 55.36 54.87 2f23 s GLN 103 Cb 0.06 -1.41 -0.02 0.00 1.10 0.00 0.00 33.01 32.74 2f23 s GLN 103 CO -0.08 -0.08 1.08 0.08 -0.55 0.00 0.00 175.29 175.73 2f23 s VAL 104 N 1.04 4.58 0.30 1.34 1.01 -0.46 -1.01 120.40 127.20 2f23 s VAL 104 Ca -0.08 1.87 0.03 0.00 0.00 0.00 0.00 61.98 63.80 2f23 s VAL 104 Cb -0.15 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 2f23 s VAL 104 CO -0.01 -0.01 0.15 0.68 0.00 0.00 0.00 175.10 175.92 2f23 s VAL 105 N 2.16 0.34 0.64 2.92 -7.23 0.12 -0.01 120.40 119.34 2f23 s VAL 105 Ca 0.51 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.52 2f23 s VAL 105 Cb -0.20 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.20 2f23 s VAL 105 CO 0.19 0.00 1.11 -0.44 -0.31 0.00 0.00 175.10 175.65 2f23 s SER 106 N -3.36 5.18 0.30 4.85 0.01 -1.26 -0.74 113.70 118.67 2f23 s SER 106 Ca 0.36 2.02 0.04 0.00 1.31 0.00 0.00 55.95 59.68 2f23 s SER 106 Cb 0.05 -2.55 0.77 0.00 0.21 0.00 0.00 66.02 64.50 2f23 s SER 106 CO 0.17 -1.58 1.66 -0.65 0.41 0.00 0.00 173.24 173.25 2f23 h PRO 107 N 0.17 0.26 0.00 12.44 0.11 -1.92 0.64 132.00 143.70 2f23 h PRO 107 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2f23 h PRO 107 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2f23 h PRO 107 CO 0.54 0.17 0.00 0.00 -0.21 0.00 0.00 178.00 178.51 2f23 h ALA 108 N 1.77 1.00 -0.02 -0.75 0.00 -2.02 -2.75 119.26 116.50 2f23 h ALA 108 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 2f23 h ALA 108 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2f23 h ALA 108 CO -0.62 0.00 -0.13 0.39 0.00 0.00 0.00 179.25 178.89 2f23 n GLU 109 N -2.34 1.75 -1.76 0.00 1.02 0.21 -5.01 120.64 114.52 2f23 n GLU 109 Ca 0.01 -1.48 -0.41 0.00 -0.02 0.00 0.00 57.16 55.25 2f23 n GLU 109 Cb 0.17 -1.40 -0.00 0.00 -0.02 0.00 0.00 31.44 30.19 2f23 n GLU 109 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2f23 n ALA 110 N 0.78 2.13 -3.15 0.62 0.00 -1.04 -4.89 120.51 114.97 2f23 n ALA 110 Ca 0.11 0.35 0.04 0.00 0.00 0.00 0.00 53.44 53.94 2f23 n ALA 110 Cb 0.49 -2.38 -0.00 0.00 0.00 0.00 0.00 19.45 17.55 2f23 n ALA 110 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2f23 s ASN 111 N -0.13 -1.43 0.00 0.00 3.84 0.16 -5.01 114.94 112.37 2f23 s ASN 111 Ca 0.54 0.12 0.18 0.00 0.21 0.00 0.00 52.86 53.92 2f23 s ASN 111 Cb -0.50 1.90 0.93 0.00 -0.55 0.00 0.00 41.25 43.03 2f23 s ASN 111 CO 0.63 -0.26 1.55 1.33 -2.79 0.00 0.00 177.10 177.55 2f23 n VAL 112 N 5.32 0.43 0.69 -5.21 0.24 -1.26 -1.84 118.33 116.70 2f23 n VAL 112 Ca 0.06 0.11 0.11 0.00 -2.04 0.00 0.00 64.34 62.58 2f23 n VAL 112 Cb 0.55 -0.81 0.09 0.00 -1.47 0.00 0.00 33.84 32.20 2f23 n VAL 112 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2f23 n LEU 113 N -1.26 0.63 -4.89 1.34 4.77 -1.26 -4.85 117.00 111.47 2f23 n LEU 113 Ca 0.09 -0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.77 2f23 n LEU 113 Cb 0.14 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2f23 n LEU 113 CO 0.14 0.06 0.76 -1.81 -1.33 0.00 0.00 177.39 175.20 2f23 s ASP 114 N -3.71 5.14 -0.15 -1.43 1.01 -1.13 -4.99 116.67 111.41 2f23 s ASP 114 Ca 0.06 1.03 -0.03 0.00 0.71 0.00 0.00 52.55 54.33 2f23 s ASP 114 Cb 0.15 -1.74 0.05 0.00 1.01 0.00 0.00 42.92 42.39 2f23 s ASP 114 CO 0.77 -1.52 0.04 -0.89 0.21 0.00 0.00 175.17 173.77 2f23 s THR 115 N -3.42 0.31 0.67 -1.27 2.01 -1.26 -2.13 115.64 110.56 2f23 s THR 115 Ca 0.59 -0.23 -0.16 0.00 0.31 0.00 0.00 61.69 62.20 2f23 s THR 115 Cb -0.11 -0.75 0.01 0.00 0.01 0.00 0.00 72.50 71.66 2f23 s THR 115 CO 0.51 -0.08 1.20 -2.16 -0.69 0.00 0.00 174.62 173.40 2f23 s PRO 116 N 1.97 2.50 0.11 4.92 0.04 -1.26 -5.08 135.00 138.21 2f23 s PRO 116 Ca 0.02 1.75 -0.31 0.00 0.04 0.00 0.00 61.00 62.49 2f23 s PRO 116 Cb -0.15 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 2f23 s PRO 116 CO -0.07 -1.55 1.58 -1.64 0.04 0.00 0.00 177.00 175.36 2f23 s MET 117 N -3.73 4.22 -0.52 4.56 -1.94 -0.83 -4.62 119.30 116.45 2f23 s MET 117 Ca 0.75 2.31 -0.24 0.00 -1.71 0.00 0.00 55.69 56.80 2f23 s MET 117 Cb -0.29 -3.36 0.04 0.00 2.01 0.00 0.00 34.83 33.23 2f23 s MET 117 CO 0.41 -0.64 0.88 0.15 -0.01 0.00 0.00 175.02 175.80 2f23 s LYS 118 N 1.81 3.35 -0.17 2.03 1.02 -0.77 -0.38 119.74 126.64 2f23 s LYS 118 Ca 0.71 -0.23 -0.06 0.00 0.02 0.00 0.00 55.97 56.40 2f23 s LYS 118 Cb -0.41 -4.02 -0.04 0.00 -0.52 0.00 0.00 37.83 32.84 2f23 s LYS 118 CO 0.31 -1.36 0.05 0.42 -0.92 0.00 0.00 175.35 173.85 2f23 s ILE 119 N 3.68 4.65 0.26 2.17 1.01 -0.18 -0.67 121.20 132.12 2f23 s ILE 119 Ca 0.30 -0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.56 2f23 s ILE 119 Cb -0.13 -3.08 -0.10 0.00 0.01 0.00 0.00 42.46 39.17 2f23 s ILE 119 CO 0.20 0.48 1.43 -0.55 0.00 0.00 0.00 174.94 176.51 2f23 s SER 120 N 0.22 6.65 0.01 3.58 0.15 -1.26 -0.70 113.70 122.35 2f23 s SER 120 Ca 0.03 2.67 0.13 0.00 0.70 0.00 0.00 55.95 59.48 2f23 s SER 120 Cb -0.12 -2.63 0.55 0.00 -1.71 0.00 0.00 66.02 62.11 2f23 s SER 120 CO 0.01 -0.70 1.41 -0.90 1.20 0.00 0.00 173.24 174.26 2f23 n ASP 121 N 2.22 0.03 -0.12 5.45 3.85 0.08 -1.93 116.55 126.12 2f23 n ASP 121 Ca 0.06 0.51 0.11 0.00 -0.71 0.00 0.00 54.79 54.76 2f23 n ASP 121 Cb 0.40 -0.51 0.04 0.00 -1.35 0.00 0.00 41.12 39.70 2f23 n ASP 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2f23 n ALA 122 N -1.51 4.08 -1.79 2.12 0.00 -1.26 -3.14 120.51 119.00 2f23 n ALA 122 Ca 0.03 -0.53 -0.30 0.00 0.00 0.00 0.00 53.44 52.64 2f23 n ALA 122 Cb 0.15 -0.90 0.05 0.00 0.00 0.00 0.00 19.45 18.75 2f23 n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2f23 s SER 123 N -2.85 5.39 0.26 0.00 1.04 -0.81 -4.79 113.70 111.94 2f23 s SER 123 Ca 0.12 1.25 -0.03 0.00 0.48 0.00 0.00 55.95 57.78 2f23 s SER 123 Cb 0.17 -2.09 0.43 0.00 0.10 0.00 0.00 66.02 64.63 2f23 s SER 123 CO 0.74 -1.39 1.83 -0.65 0.98 0.00 0.00 173.24 174.75 2f23 h PRO 124 N -0.68 0.91 -0.26 4.02 0.11 -1.92 0.16 132.00 134.33 2f23 h PRO 124 Ca -0.45 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 2f23 h PRO 124 Cb 1.24 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2f23 h PRO 124 CO 0.62 0.60 -0.12 1.98 -0.21 0.00 0.00 178.00 180.88 2f23 h MET 125 N 0.94 0.54 -0.09 1.05 4.05 -1.89 -2.19 114.93 117.34 2f23 h MET 125 Ca 0.43 -0.23 0.02 0.00 -0.28 0.00 0.00 59.70 59.63 2f23 h MET 125 Cb 0.33 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 2f23 h MET 125 CO -0.23 0.78 -0.01 0.78 0.23 0.00 0.00 176.91 178.46 2f23 h GLY 126 N 0.27 0.07 1.97 1.39 0.00 -1.46 -2.03 103.07 103.28 2f23 h GLY 126 Ca 0.06 0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 2f23 h GLY 126 CO 0.04 -0.03 -0.21 0.50 0.00 0.00 0.00 176.54 176.84 2f23 h LYS 127 N 0.01 0.04 0.00 4.80 1.57 -0.93 -2.10 116.57 119.95 2f23 h LYS 127 Ca 0.04 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 2f23 h LYS 127 Cb 0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2f23 h LYS 127 CO -0.08 0.25 -0.22 0.00 -0.57 0.00 0.00 179.45 178.83 2f23 h ALA 128 N 1.75 0.99 0.08 3.86 0.00 -0.84 -3.23 119.26 121.88 2f23 h ALA 128 Ca 0.01 -0.20 -0.32 0.00 0.00 0.00 0.00 54.91 54.39 2f23 h ALA 128 Cb 0.39 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2f23 h ALA 128 CO 0.03 0.28 -1.74 -0.07 0.00 0.00 0.00 179.25 177.74 2f23 h LEU 129 N 0.00 0.28 -9.33 0.00 3.38 -0.74 -3.47 115.31 105.42 2f23 h LEU 129 Ca -0.00 -0.51 -0.65 0.00 0.09 0.00 0.00 57.88 56.80 2f23 h LEU 129 Cb 0.79 -0.09 0.06 0.00 0.09 0.00 0.00 40.66 41.51 2f23 h LEU 129 CO 0.03 1.45 0.50 0.18 0.09 0.00 0.00 178.44 180.69 2f23 n LEU 130 N -3.34 1.96 0.00 1.67 4.77 -0.89 -2.08 117.00 119.10 2f23 n LEU 130 Ca -0.22 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.88 2f23 n LEU 130 Cb 1.05 -1.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2f23 n LEU 130 CO 0.46 -0.91 0.00 0.61 -1.33 0.00 0.00 177.39 176.22 2f23 n GLY 131 N 2.63 0.85 3.96 -0.72 0.00 0.10 -4.98 105.19 107.03 2f23 n GLY 131 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 2f23 n GLY 131 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2f23 s HIS 132 N -3.34 3.29 0.36 1.61 3.76 -0.88 -4.75 115.29 115.34 2f23 s HIS 132 Ca 0.00 0.12 0.04 0.00 -0.15 0.00 0.00 55.06 55.07 2f23 s HIS 132 Cb 0.00 -2.04 -0.06 0.00 1.11 0.00 0.00 32.58 31.59 2f23 s HIS 132 CO 0.00 -0.06 0.06 1.03 -0.85 0.00 0.00 174.74 174.92 2f23 s ARG 133 N -4.33 1.77 0.23 1.40 0.52 -1.26 -1.28 118.95 116.00 2f23 s ARG 133 Ca 0.44 -2.01 -0.32 0.00 -0.52 0.00 0.00 55.73 53.32 2f23 s ARG 133 Cb -0.10 -1.01 -0.12 0.00 0.52 0.00 0.00 34.95 34.24 2f23 s ARG 133 CO 0.35 -0.21 1.63 0.28 0.02 0.00 0.00 175.30 177.37 2f23 n VAL 134 N -0.80 0.42 0.00 3.52 0.31 -1.26 -1.77 118.33 118.75 2f23 n VAL 134 Ca -0.04 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 2f23 n VAL 134 Cb 0.66 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 2f23 n VAL 134 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2f23 n GLY 135 N 3.14 2.92 3.79 2.92 0.00 0.18 -4.51 105.19 113.64 2f23 n GLY 135 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2f23 n GLY 135 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2f23 s ASP 136 N -1.32 5.90 -0.14 1.61 1.01 -0.73 -1.57 116.67 121.43 2f23 s ASP 136 Ca 0.00 1.93 0.02 0.00 0.71 0.00 0.00 52.55 55.21 2f23 s ASP 136 Cb 0.00 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.39 2f23 s ASP 136 CO 0.00 -1.09 -0.22 -0.69 0.21 0.00 0.00 175.17 173.39 2f23 s VAL 137 N -2.18 2.10 0.08 -1.27 1.01 -1.26 -0.92 120.40 117.96 2f23 s VAL 137 Ca 0.67 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.74 2f23 s VAL 137 Cb -0.18 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 2f23 s VAL 137 CO 0.30 0.55 -0.15 -0.76 0.00 0.00 0.00 175.10 175.04 2f23 s LEU 138 N 0.83 2.29 -0.29 3.92 1.43 0.12 -4.89 118.68 122.10 2f23 s LEU 138 Ca -0.06 -0.65 -0.10 0.00 -1.03 0.00 0.00 54.13 52.28 2f23 s LEU 138 Cb -0.15 -0.58 -0.03 0.00 0.03 0.00 0.00 46.19 45.45 2f23 s LEU 138 CO -0.02 -0.06 0.17 -0.44 0.23 0.00 0.00 176.35 176.22 2f23 s SER 139 N -1.84 5.78 0.03 2.29 0.01 -1.26 -0.22 113.70 118.48 2f23 s SER 139 Ca 0.01 -0.18 0.07 0.00 1.31 0.00 0.00 55.95 57.15 2f23 s SER 139 Cb -0.09 -2.07 -0.03 0.00 0.21 0.00 0.00 66.02 64.04 2f23 s SER 139 CO 0.03 -0.10 -0.20 -0.76 0.41 0.00 0.00 173.24 172.62 2f23 s LEU 140 N 1.70 2.47 -0.87 2.44 1.43 0.13 -4.93 118.68 121.06 2f23 s LEU 140 Ca 0.06 -0.44 -0.18 0.00 -1.03 0.00 0.00 54.13 52.54 2f23 s LEU 140 Cb -0.16 -1.45 0.14 0.00 0.03 0.00 0.00 46.19 44.75 2f23 s LEU 140 CO 0.09 0.27 1.02 -1.81 0.23 0.00 0.00 176.35 176.15 2f23 s ASP 141 N -1.24 6.58 0.60 2.29 1.01 -1.26 -1.21 116.67 123.45 2f23 s ASP 141 Ca 0.13 -2.03 0.01 0.00 0.71 0.00 0.00 52.55 51.38 2f23 s ASP 141 Cb -0.10 -2.36 0.06 0.00 1.01 0.00 0.00 42.92 41.53 2f23 s ASP 141 CO 0.03 -1.01 0.83 0.42 0.21 0.00 0.00 175.17 175.65 2f23 s THR 142 N 2.37 2.48 -0.66 -1.27 -4.23 -0.28 -4.44 115.64 109.62 2f23 s THR 142 Ca 0.28 -0.68 0.17 0.00 -1.18 0.00 0.00 61.69 60.28 2f23 s THR 142 Cb -0.08 -2.81 0.17 0.00 1.34 0.00 0.00 72.50 71.12 2f23 s THR 142 CO -0.07 0.00 1.52 -0.81 -0.54 0.00 0.00 174.62 174.72 2f23 n PRO 143 N -2.47 0.10 -0.09 3.99 -0.04 -1.26 -1.02 135.00 134.21 2f23 n PRO 143 Ca 0.11 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 64.11 2f23 n PRO 143 Cb 0.60 -1.72 0.15 0.00 -0.04 0.00 0.00 33.50 32.49 2f23 n PRO 143 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2f23 n LYS 144 N -1.91 2.33 0.00 0.54 4.76 -1.26 -5.07 118.16 117.55 2f23 n LYS 144 Ca 0.01 -2.07 0.00 0.00 -2.87 0.00 0.00 58.31 53.39 2f23 n LYS 144 Cb 0.14 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 2f23 n LYS 144 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2f23 n GLY 145 N 1.37 -0.31 3.69 0.72 0.00 -0.19 -5.00 105.19 105.48 2f23 n GLY 145 Ca 0.16 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 2f23 n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2f23 s LYS 146 N -0.13 4.44 0.03 1.61 2.20 -1.26 -1.12 119.74 125.51 2f23 s LYS 146 Ca 0.00 1.49 -0.03 0.00 -0.36 0.00 0.00 55.97 57.07 2f23 s LYS 146 Cb 0.00 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.79 2f23 s LYS 146 CO 0.00 -0.28 0.03 1.03 -0.36 0.00 0.00 175.35 175.78 2f23 s ARG 147 N 1.73 0.50 -0.17 4.03 1.81 -0.35 -4.96 118.95 121.54 2f23 s ARG 147 Ca 0.52 -0.78 -0.08 0.00 -1.72 0.00 0.00 55.73 53.67 2f23 s ARG 147 Cb -0.21 0.19 -0.04 0.00 -0.45 0.00 0.00 34.95 34.43 2f23 s ARG 147 CO 0.22 -0.11 0.11 -2.00 -0.68 0.00 0.00 175.30 172.84 2f23 s GLU 148 N -2.42 3.91 0.03 3.54 2.12 -1.26 0.21 118.70 124.82 2f23 s GLU 148 Ca -0.07 -0.24 0.03 0.00 0.36 0.00 0.00 54.97 55.05 2f23 s GLU 148 Cb -0.03 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 31.07 2f23 s GLU 148 CO -0.04 0.42 -0.09 -0.06 -0.54 0.00 0.00 175.26 174.95 2f23 s PHE 149 N -0.01 0.74 -0.14 5.30 0.40 0.70 -4.05 117.98 120.91 2f23 s PHE 149 Ca 0.09 -0.34 -0.07 0.00 -0.60 0.00 0.00 56.93 56.01 2f23 s PHE 149 Cb -0.12 -0.45 -0.04 0.00 0.51 0.00 0.00 43.02 42.93 2f23 s PHE 149 CO 0.00 -0.03 0.10 0.50 0.70 0.00 0.00 175.22 176.49 2f23 s ARG 150 N -1.04 3.59 -0.30 0.44 3.52 0.17 -0.70 118.95 124.62 2f23 s ARG 150 Ca -0.04 -0.24 -0.29 0.00 -0.13 0.00 0.00 55.73 55.03 2f23 s ARG 150 Cb -0.07 -3.16 0.01 0.00 -1.56 0.00 0.00 34.95 30.17 2f23 s ARG 150 CO 0.00 0.58 1.12 0.08 -0.81 0.00 0.00 175.30 176.28 2f23 s VAL 151 N -0.49 4.45 -0.17 7.11 1.01 -0.09 -1.35 120.40 130.86 2f23 s VAL 151 Ca 0.11 1.68 0.04 0.00 0.00 0.00 0.00 61.98 63.81 2f23 s VAL 151 Cb -0.12 -4.35 -0.22 0.00 0.00 0.00 0.00 36.38 31.69 2f23 s VAL 151 CO 0.02 -0.44 0.17 0.52 0.00 0.00 0.00 175.10 175.37 2f23 n VAL 152 N 5.86 1.58 -3.61 2.92 0.31 0.22 -0.64 118.33 124.96 2f23 n VAL 152 Ca 0.13 -0.69 -0.15 0.00 -0.01 0.00 0.00 64.34 63.61 2f23 n VAL 152 Cb 0.47 -1.27 -0.07 0.00 -0.91 0.00 0.00 33.84 32.06 2f23 n VAL 152 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2f23 s ALA 153 N -2.54 -1.31 -0.03 3.52 0.00 -1.12 -4.86 121.76 115.42 2f23 s ALA 153 Ca -0.21 0.76 -0.00 0.00 0.00 0.00 0.00 51.96 52.51 2f23 s ALA 153 Cb 0.08 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.38 2f23 s ALA 153 CO 0.74 -0.39 0.02 0.42 0.00 0.00 0.00 175.76 176.55 2f23 s ILE 154 N -1.69 0.04 0.37 0.00 1.01 -1.26 -1.00 121.20 118.67 2f23 s ILE 154 Ca -0.10 0.19 -0.14 0.00 0.00 0.00 0.00 60.65 60.61 2f23 s ILE 154 Cb -0.02 -0.18 0.04 0.00 0.01 0.00 0.00 42.46 42.32 2f23 s ILE 154 CO 0.04 0.13 0.73 -1.38 0.00 0.00 0.00 174.94 174.46 2f23 s HIS 155 N 1.23 0.25 -2.13 3.97 -3.43 -0.57 -4.81 115.29 109.80 2f23 s HIS 155 Ca -0.07 -0.83 0.31 0.00 -0.80 0.00 0.00 55.06 53.67 2f23 s HIS 155 Cb -0.13 0.66 1.69 0.00 -1.43 0.00 0.00 32.58 33.38 2f23 s HIS 155 CO -0.03 -1.46 2.11 0.41 -2.00 0.00 0.00 174.74 173.77