#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udd n ARG 2 N 0.00 -5.49 -2.67 3.17 1.74 -1.26 -5.06 116.66 107.09 1udd n ARG 2 Ca 0.00 3.91 -0.23 0.00 -0.77 0.00 0.00 57.85 60.76 1udd n ARG 2 Cb 0.00 -4.32 0.09 0.00 -1.02 0.00 0.00 32.46 27.21 1udd n ARG 2 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1udd s VAL 3 N -0.53 2.18 0.80 1.55 -7.23 -1.26 -5.08 120.40 110.83 1udd s VAL 3 Ca 0.00 -0.67 -0.12 0.00 -1.81 0.00 0.00 61.98 59.38 1udd s VAL 3 Cb 0.00 -2.51 0.07 0.00 0.56 0.00 0.00 36.38 34.50 1udd s VAL 3 CO 0.00 0.00 1.10 -0.04 -0.31 0.00 0.00 175.10 175.85 1udd s MET 4 N -5.03 2.08 0.11 4.82 1.00 -1.26 -4.89 119.30 116.13 1udd s MET 4 Ca 0.65 0.58 -0.21 0.00 0.00 0.00 0.00 55.69 56.71 1udd s MET 4 Cb -0.06 -1.92 -0.10 0.00 0.00 0.00 0.00 34.83 32.75 1udd s MET 4 CO 0.43 -1.61 1.74 0.82 0.00 0.00 0.00 175.02 176.39 1udd h ILE 5 N -1.08 0.95 0.00 2.53 2.04 -1.92 -1.82 117.51 118.20 1udd h ILE 5 Ca -0.47 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 1udd h ILE 5 Cb 1.27 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1udd h ILE 5 CO 0.60 0.01 -0.06 0.71 0.00 0.00 0.00 178.15 179.41 1udd h THR 6 N 0.05 0.24 -0.26 -0.27 1.35 -1.92 -1.01 112.91 111.08 1udd h THR 6 Ca 0.04 -0.45 -0.06 0.00 -0.55 0.00 0.00 66.41 65.39 1udd h THR 6 Cb 0.04 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 1udd h THR 6 CO -0.06 0.06 -0.09 0.44 -0.25 0.00 0.00 175.52 175.62 1udd h ASP 7 N 0.00 0.53 -0.61 5.36 3.32 -1.73 -2.04 116.42 121.26 1udd h ASP 7 Ca -0.00 -0.38 -0.07 0.00 0.02 0.00 0.00 57.03 56.60 1udd h ASP 7 Cb 0.35 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1udd h ASP 7 CO 0.01 0.80 0.13 0.11 -1.72 0.00 0.00 179.24 178.57 1udd h LYS 8 N 0.26 1.01 -0.63 3.56 1.57 -0.53 0.15 116.57 121.97 1udd h LYS 8 Ca 0.06 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1udd h LYS 8 Cb 0.58 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1udd h LYS 8 CO 0.03 0.91 0.30 -0.07 -0.57 0.00 0.00 179.45 180.05 1udd h LEU 9 N 0.96 0.83 -0.07 2.94 3.38 -1.10 0.52 115.31 122.77 1udd h LEU 9 Ca 0.20 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1udd h LEU 9 Cb 0.37 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1udd h LEU 9 CO 0.00 0.73 0.00 -0.09 0.09 0.00 0.00 178.44 179.18 1udd h ARG 10 N 0.86 0.12 -0.10 1.13 9.65 -1.12 -2.75 114.38 122.18 1udd h ARG 10 Ca 0.22 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 59.10 1udd h ARG 10 Cb 0.13 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.64 1udd h ARG 10 CO -0.03 0.39 -0.25 -0.09 2.80 0.00 0.00 179.97 182.79 1udd h ARG 11 N -0.15 -0.32 0.00 0.20 2.43 -0.26 -2.46 114.38 113.81 1udd h ARG 11 Ca 0.02 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1udd h ARG 11 Cb 0.33 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1udd h ARG 11 CO 0.00 -0.21 0.00 -0.25 -1.51 0.00 0.00 179.97 178.00 1udd n ASP 12 N -5.37 0.00 -0.11 -3.80 8.00 0.18 -2.97 116.55 112.48 1udd n ASP 12 Ca -0.03 -0.06 0.05 0.00 0.71 0.00 0.00 54.79 55.46 1udd n ASP 12 Cb 0.29 -0.23 0.07 0.00 -0.02 0.00 0.00 41.12 41.23 1udd n ASP 12 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1udd n SER 13 N -1.23 1.77 -0.26 -2.24 3.41 -0.96 -4.85 113.62 109.26 1udd n SER 13 Ca 0.09 -2.52 0.06 0.00 -0.26 0.00 0.00 58.87 56.24 1udd n SER 13 Cb 0.11 -0.26 0.20 0.00 -0.26 0.00 0.00 64.21 64.00 1udd n SER 13 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1udd h GLU 14 N 0.00 0.40 -0.62 4.33 5.08 -1.37 -2.04 114.58 120.36 1udd h GLU 14 Ca 0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1udd h GLU 14 Cb 0.93 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 1udd h GLU 14 CO 0.00 0.27 0.26 1.96 -1.00 0.00 0.00 179.01 180.49 1udd h GLN 15 N 0.42 0.92 0.01 2.33 4.20 -1.88 -1.35 115.11 119.75 1udd h GLN 15 Ca 0.43 -0.16 -0.19 0.00 0.06 0.00 0.00 58.65 58.79 1udd h GLN 15 Cb 0.69 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1udd h GLN 15 CO -0.43 0.77 -0.88 -0.84 -0.67 0.00 0.00 178.83 176.78 1udd h ILE 16 N 0.86 1.54 -0.31 2.54 -0.00 -1.85 -2.85 117.51 117.44 1udd h ILE 16 Ca 0.21 -2.74 -0.06 0.00 -0.00 0.00 0.00 64.86 62.26 1udd h ILE 16 Cb 0.19 2.52 -0.02 0.00 -0.00 0.00 0.00 36.82 39.51 1udd h ILE 16 CO -0.02 0.79 -0.08 -0.50 -0.00 0.00 0.00 178.15 178.34 1udd h TRP 17 N 0.06 0.53 -0.50 0.16 4.06 -1.20 -0.93 115.95 118.13 1udd h TRP 17 Ca -0.03 -0.07 -0.01 0.00 2.06 0.00 0.00 58.89 60.84 1udd h TRP 17 Cb 1.52 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 29.50 1udd h TRP 17 CO 0.02 0.58 0.29 -0.22 -3.56 0.00 0.00 178.44 175.55 1udd h LYS 18 N 0.47 0.69 -0.25 0.49 3.64 -1.16 0.23 116.57 120.70 1udd h LYS 18 Ca 0.09 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1udd h LYS 18 Cb 0.43 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1udd h LYS 18 CO 0.02 0.52 -0.04 0.87 -2.27 0.00 0.00 179.45 178.56 1udd h LYS 19 N 0.67 0.38 -0.15 1.90 1.57 -1.15 -0.80 116.57 118.98 1udd h LYS 19 Ca 0.18 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1udd h LYS 19 Cb 0.02 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1udd h LYS 19 CO -0.03 0.43 -0.14 0.82 -0.57 0.00 0.00 179.45 179.97 1udd h ILE 20 N 0.36 1.34 -0.34 1.86 2.04 -0.21 -1.00 117.51 121.57 1udd h ILE 20 Ca 0.08 -1.28 -0.00 0.00 1.00 0.00 0.00 64.86 64.66 1udd h ILE 20 Cb 0.30 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1udd h ILE 20 CO 0.01 0.38 0.20 -0.26 0.00 0.00 0.00 178.15 178.48 1udd h PHE 21 N -0.01 0.44 -0.50 1.37 0.04 -0.06 -2.68 116.94 115.55 1udd h PHE 21 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1udd h PHE 21 Cb 0.66 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.66 1udd h PHE 21 CO 0.08 0.31 0.00 0.39 -0.60 0.00 0.00 178.31 178.49 1udd n GLU 22 N -4.46 2.52 -1.98 1.51 1.02 -0.35 -4.48 120.64 114.42 1udd n GLU 22 Ca 0.02 -2.33 -0.42 0.00 -0.02 0.00 0.00 57.16 54.42 1udd n GLU 22 Cb 0.09 -1.52 -0.02 0.00 -0.02 0.00 0.00 31.44 29.96 1udd n GLU 22 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1udd s HIS 23 N -1.35 3.01 0.22 -0.32 2.46 -0.39 -4.77 115.29 114.16 1udd s HIS 23 Ca 0.42 0.91 -0.14 0.00 0.47 0.00 0.00 55.06 56.71 1udd s HIS 23 Cb 0.23 -3.86 0.26 0.00 -0.13 0.00 0.00 32.58 29.08 1udd s HIS 23 CO 0.32 -2.91 1.59 -1.35 -2.47 0.00 0.00 174.74 169.92 1udd h PRO 24 N 5.48 -0.04 -0.31 2.88 0.11 -1.91 0.34 132.00 138.55 1udd h PRO 24 Ca -0.45 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.71 1udd h PRO 24 Cb 1.21 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 1udd h PRO 24 CO 0.81 -0.03 0.02 0.35 -0.21 0.00 0.00 178.00 178.94 1udd h PHE 25 N -0.04 0.01 0.16 0.65 3.57 -1.90 0.60 116.94 119.99 1udd h PHE 25 Ca 0.33 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 1udd h PHE 25 Cb 0.56 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1udd h PHE 25 CO -0.64 -0.03 -0.08 0.28 -2.23 0.00 0.00 178.31 175.61 1udd h VAL 26 N 0.11 0.94 -0.50 1.41 2.07 -1.49 -0.08 116.25 118.71 1udd h VAL 26 Ca 0.15 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.28 1udd h VAL 26 Cb 0.19 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1udd h VAL 26 CO -0.23 0.10 0.23 0.58 0.02 0.00 0.00 177.57 178.27 1udd h VAL 27 N -0.42 0.92 -0.02 2.57 2.07 -0.04 -1.68 116.25 119.66 1udd h VAL 27 Ca -0.02 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 1udd h VAL 27 Cb 0.33 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1udd h VAL 27 CO 0.04 0.08 -0.57 1.56 0.02 0.00 0.00 177.57 178.70 1udd h GLN 28 N 0.45 0.05 -0.26 1.57 4.20 0.25 -1.17 115.11 120.19 1udd h GLN 28 Ca 0.22 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.85 1udd h GLN 28 Cb 0.16 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1udd h GLN 28 CO -0.18 0.60 -0.07 1.25 -0.67 0.00 0.00 178.83 179.76 1udd h LEU 29 N 0.04 0.51 -0.53 1.46 6.46 -0.50 0.08 115.31 122.82 1udd h LEU 29 Ca -0.00 -0.37 -0.15 0.00 -0.12 0.00 0.00 57.88 57.24 1udd h LEU 29 Cb 1.01 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.78 1udd h LEU 29 CO 0.08 0.76 -0.70 1.88 -0.62 0.00 0.00 178.44 179.83 1udd h TYR 30 N 0.25 0.00 0.03 1.25 -1.99 -1.26 -3.18 116.97 112.07 1udd h TYR 30 Ca 0.06 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.58 1udd h TYR 30 Cb 0.54 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.26 1udd h TYR 30 CO 0.05 0.70 -0.99 0.66 -0.00 0.00 0.00 178.16 178.59 1udd h SER 31 N 0.00 0.23 0.00 3.88 4.64 -1.18 -3.24 113.55 117.87 1udd h SER 31 Ca -0.01 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1udd h SER 31 Cb 1.28 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1udd h SER 31 CO 0.09 1.08 0.00 0.61 -0.87 0.00 0.00 176.83 177.74 1udd n GLY 32 N 1.13 1.03 0.12 -0.77 0.00 -0.47 -4.37 105.19 101.87 1udd n GLY 32 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1udd n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1udd h THR 33 N 0.00 0.00 -2.50 2.61 2.02 -1.35 -3.44 112.91 110.25 1udd h THR 33 Ca 0.00 -0.85 -0.57 0.00 0.77 0.00 0.00 66.41 65.76 1udd h THR 33 Cb 0.00 1.48 0.07 0.00 -1.74 0.00 0.00 68.15 67.96 1udd h THR 33 CO 0.00 0.00 0.76 -0.11 0.37 0.00 0.00 175.52 176.54 1udd n LEU 34 N -2.59 3.25 -4.67 2.58 7.94 -0.16 -4.89 117.00 118.45 1udd n LEU 34 Ca 0.02 1.10 -0.42 0.00 -1.11 0.00 0.00 56.01 55.60 1udd n LEU 34 Cb 0.51 -1.45 -0.03 0.00 0.53 0.00 0.00 43.42 42.99 1udd n LEU 34 CO 0.38 -0.28 1.24 -2.84 -1.11 0.00 0.00 177.39 174.78 1udd s PRO 35 N 0.42 4.22 0.62 1.96 0.02 -1.26 -4.85 135.00 136.13 1udd s PRO 35 Ca 0.74 2.08 0.23 0.00 0.02 0.00 0.00 61.00 64.07 1udd s PRO 35 Cb -0.64 -3.75 0.95 0.00 0.02 0.00 0.00 34.50 31.07 1udd s PRO 35 CO 0.42 -0.72 1.42 1.25 -0.33 0.00 0.00 177.00 179.04 1udd h LEU 36 N 9.25 0.00 -0.53 -5.54 6.46 -1.97 0.54 115.31 123.52 1udd h LEU 36 Ca -0.38 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.22 1udd h LEU 36 Cb 1.17 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.10 1udd h LEU 36 CO 0.93 0.00 -0.55 -0.33 -0.62 0.00 0.00 178.44 177.87 1udd h GLU 37 N 0.00 0.54 -0.06 1.25 4.39 -2.00 -2.60 114.58 116.09 1udd h GLU 37 Ca 0.32 -0.34 -0.14 0.00 0.34 0.00 0.00 59.36 59.54 1udd h GLU 37 Cb 2.26 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.94 1udd h GLU 37 CO -0.00 0.95 -0.60 0.87 -1.16 0.00 0.00 179.01 179.07 1udd h LYS 38 N 0.41 0.21 -0.44 2.33 1.57 -0.28 -2.67 116.57 117.70 1udd h LYS 38 Ca 0.01 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.53 1udd h LYS 38 Cb 1.09 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1udd h LYS 38 CO 0.10 0.75 -0.17 0.35 -0.57 0.00 0.00 179.45 179.91 1udd h PHE 39 N 0.16 1.02 -0.82 -1.35 3.57 -1.45 -2.27 116.94 115.79 1udd h PHE 39 Ca -0.01 -0.24 -0.02 0.00 3.53 0.00 0.00 57.97 61.24 1udd h PHE 39 Cb 1.09 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 1udd h PHE 39 CO 0.02 1.02 0.45 0.87 -2.23 0.00 0.00 178.31 178.45 1udd h LYS 40 N 0.73 1.15 -0.82 1.11 1.57 -1.36 0.25 116.57 119.20 1udd h LYS 40 Ca 0.10 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1udd h LYS 40 Cb 0.73 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 1udd h LYS 40 CO 0.06 0.84 0.48 0.35 -0.57 0.00 0.00 179.45 180.61 1udd h PHE 41 N 1.15 1.09 0.29 -1.35 3.57 -1.29 -0.49 116.94 119.90 1udd h PHE 41 Ca 0.29 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1udd h PHE 41 Cb 0.03 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.41 1udd h PHE 41 CO 0.00 0.74 -0.14 -0.92 -2.23 0.00 0.00 178.31 175.77 1udd h TYR 42 N 1.13 -0.36 -0.65 0.41 3.20 -0.80 -2.17 116.97 117.72 1udd h TYR 42 Ca 0.29 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.25 1udd h TYR 42 Cb -0.02 0.12 -0.08 0.00 1.54 0.00 0.00 36.73 38.30 1udd h TYR 42 CO -0.00 -0.05 0.27 0.28 -1.64 0.00 0.00 178.16 177.02 1udd h VAL 43 N -0.68 0.77 -0.47 1.81 2.07 -0.37 -0.73 116.25 118.65 1udd h VAL 43 Ca -0.04 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.38 1udd h VAL 43 Cb 0.47 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1udd h VAL 43 CO 0.07 0.08 0.18 -0.07 0.02 0.00 0.00 177.57 177.85 1udd h LEU 44 N 0.46 0.21 -1.10 2.57 4.07 -1.04 0.10 115.31 120.59 1udd h LEU 44 Ca 0.33 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.34 1udd h LEU 44 Cb 0.41 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.18 1udd h LEU 44 CO -0.31 0.15 0.00 0.00 -1.08 0.00 0.00 178.44 177.20 1udd n GLN 45 N -4.98 0.18 0.27 1.13 1.13 -0.36 -2.74 117.38 112.01 1udd n GLN 45 Ca 0.04 0.53 0.16 0.00 -1.94 0.00 0.00 57.00 55.80 1udd n GLN 45 Cb 0.17 -1.93 0.67 0.00 0.11 0.00 0.00 30.24 29.26 1udd n GLN 45 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 1udd h ASP 46 N 0.00 0.00 0.32 1.08 3.32 0.02 -3.24 116.42 117.91 1udd h ASP 46 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1udd h ASP 46 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1udd h ASP 46 CO 0.00 0.05 -0.17 0.15 -1.72 0.00 0.00 179.24 177.55 1udd h PHE 47 N 0.00 -0.44 -0.48 4.55 3.57 -1.61 0.20 116.94 122.73 1udd h PHE 47 Ca -0.00 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.58 1udd h PHE 47 Cb 0.52 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 1udd h PHE 47 CO 0.00 -0.27 0.33 -0.97 -2.23 0.00 0.00 178.31 175.17 1udd h ASN 48 N -0.45 0.23 -0.13 0.41 -1.24 -1.80 0.60 115.58 113.20 1udd h ASN 48 Ca -0.04 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.91 1udd h ASN 48 Cb 0.36 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.36 1udd h ASN 48 CO 0.06 0.14 -0.18 0.22 -1.29 0.00 0.00 177.43 176.38 1udd h TYR 49 N 0.26 0.43 -0.25 0.67 -0.00 -1.46 0.55 116.97 117.15 1udd h TYR 49 Ca 0.22 -0.14 0.02 0.00 -0.00 0.00 0.00 58.73 58.83 1udd h TYR 49 Cb 0.53 -0.09 -0.02 0.00 -0.00 0.00 0.00 36.73 37.16 1udd h TYR 49 CO -0.00 0.78 0.11 1.25 -0.00 0.00 0.00 178.16 180.30 1udd h LEU 50 N -0.05 0.15 -0.24 2.82 6.46 0.85 0.81 115.31 126.11 1udd h LEU 50 Ca 0.01 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.75 1udd h LEU 50 Cb 0.73 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 1udd h LEU 50 CO 0.04 0.12 -0.00 0.58 -0.62 0.00 0.00 178.44 178.55 1udd h VAL 51 N 0.24 1.26 -0.89 1.05 2.07 -0.96 -2.61 116.25 116.41 1udd h VAL 51 Ca 0.11 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1udd h VAL 51 Cb 0.05 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1udd h VAL 51 CO -0.09 0.28 0.50 1.23 0.02 0.00 0.00 177.57 179.51 1udd h GLY 52 N 0.19 1.31 1.06 2.17 0.00 -0.58 -0.36 103.07 106.87 1udd h GLY 52 Ca 0.07 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 1udd h GLY 52 CO 0.01 0.56 0.31 -2.00 0.00 0.00 0.00 176.54 175.43 1udd h LEU 53 N 1.23 1.10 -0.41 3.11 5.85 -0.85 -2.08 115.31 123.27 1udd h LEU 53 Ca 0.31 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1udd h LEU 53 Cb 0.01 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1udd h LEU 53 CO -0.05 0.98 0.16 0.74 -0.34 0.00 0.00 178.44 179.92 1udd h THR 54 N 1.16 1.20 -0.29 1.05 2.02 -0.93 -1.77 112.91 115.35 1udd h THR 54 Ca 0.26 -0.63 0.02 0.00 0.77 0.00 0.00 66.41 66.84 1udd h THR 54 Cb 0.23 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1udd h THR 54 CO -0.02 0.23 0.12 -0.09 0.37 0.00 0.00 175.52 176.13 1udd h ARG 55 N 0.51 0.26 -0.58 6.66 2.43 -0.81 -0.96 114.38 121.90 1udd h ARG 55 Ca 0.13 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1udd h ARG 55 Cb 0.20 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1udd h ARG 55 CO -0.01 0.17 0.17 0.00 -1.51 0.00 0.00 179.97 178.79 1udd h ALA 56 N 1.16 0.76 -0.47 2.80 0.00 -1.30 -2.06 119.26 120.15 1udd h ALA 56 Ca 0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1udd h ALA 56 Cb 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1udd h ALA 56 CO -0.11 0.44 0.12 -0.07 0.00 0.00 0.00 179.25 179.63 1udd h LEU 57 N 0.82 0.66 -0.25 0.00 3.38 -1.02 -1.36 115.31 117.54 1udd h LEU 57 Ca 0.18 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1udd h LEU 57 Cb 0.31 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1udd h LEU 57 CO -0.00 0.65 0.10 0.00 0.09 0.00 0.00 178.44 179.27 1udd h ALA 58 N 1.44 0.32 -0.09 1.53 0.00 -0.74 0.36 119.26 122.09 1udd h ALA 58 Ca 0.16 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1udd h ALA 58 Cb 0.25 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1udd h ALA 58 CO -0.00 -0.08 0.04 0.28 0.00 0.00 0.00 179.25 179.49 1udd h VAL 59 N 0.25 1.12 -0.46 0.00 2.07 -1.04 0.11 116.25 118.30 1udd h VAL 59 Ca 0.08 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 67.32 1udd h VAL 59 Cb 0.18 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 1udd h VAL 59 CO -0.01 0.10 0.15 0.40 0.02 0.00 0.00 177.57 178.24 1udd h ILE 60 N 0.02 0.83 -0.89 4.57 2.04 -1.16 -1.66 117.51 121.26 1udd h ILE 60 Ca 0.03 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.81 1udd h ILE 60 Cb 0.13 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 1udd h ILE 60 CO -0.00 0.06 0.58 -1.28 0.00 0.00 0.00 178.15 177.51 1udd h SER 61 N 0.32 0.98 0.00 1.72 0.87 -0.56 -1.61 113.55 115.27 1udd h SER 61 Ca 0.22 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1udd h SER 61 Cb 0.23 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1udd h SER 61 CO -0.23 0.69 -0.00 0.77 -0.53 0.00 0.00 176.83 177.52 1udd h SER 62 N 1.15 0.00 0.00 6.23 4.64 0.19 -2.72 113.55 123.04 1udd h SER 62 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1udd h SER 62 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1udd h SER 62 CO -0.10 0.00 -1.09 0.29 -0.87 0.00 0.00 176.83 175.06 1udd n LYS 63 N -3.17 1.60 -1.57 4.77 5.02 -0.75 -5.02 118.16 119.04 1udd n LYS 63 Ca -0.03 -0.06 -0.31 0.00 -2.02 0.00 0.00 58.31 55.90 1udd n LYS 63 Cb 0.07 -1.22 0.07 0.00 -0.02 0.00 0.00 35.03 33.93 1udd n LYS 63 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1udd s ALA 64 N -2.58 2.53 0.40 7.82 0.00 -0.68 -4.98 121.76 124.27 1udd s ALA 64 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.86 1udd s ALA 64 Cb 0.10 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 1udd s ALA 64 CO 0.56 -1.41 0.71 -1.21 0.00 0.00 0.00 175.76 174.41 1udd s GLU 65 N -5.10 3.63 0.35 0.00 0.41 -1.26 -4.64 118.70 112.09 1udd s GLU 65 Ca 0.59 0.19 -0.25 0.00 -0.41 0.00 0.00 54.97 55.09 1udd s GLU 65 Cb -0.14 -2.47 -0.10 0.00 -1.78 0.00 0.00 34.13 29.64 1udd s GLU 65 CO 0.55 -0.03 0.94 -0.47 -0.49 0.00 0.00 175.26 175.75 1udd s TYR 66 N -2.45 3.59 -1.63 1.61 6.14 -1.26 -0.73 117.35 122.62 1udd s TYR 66 Ca 0.47 1.73 0.29 0.00 0.64 0.00 0.00 57.07 60.19 1udd s TYR 66 Cb -0.10 -2.89 1.18 0.00 0.42 0.00 0.00 41.96 40.56 1udd s TYR 66 CO 0.37 0.13 1.83 -0.35 0.64 0.00 0.00 175.55 178.17 1udd n PRO 67 N 0.26 0.67 -0.32 4.97 -0.04 -1.26 -4.86 135.00 134.41 1udd n PRO 67 Ca 0.03 -0.24 0.04 0.00 -0.04 0.00 0.00 63.50 63.29 1udd n PRO 67 Cb 0.51 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.70 1udd n PRO 67 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1udd h LEU 68 N 0.59 0.94 -0.97 1.53 5.85 -1.72 -0.86 115.31 120.67 1udd h LEU 68 Ca 0.00 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1udd h LEU 68 Cb 0.37 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 1udd h LEU 68 CO 0.00 0.59 0.62 -0.03 -0.34 0.00 0.00 178.44 179.28 1udd h MET 69 N 1.06 1.05 -0.42 1.25 4.05 -1.19 0.57 114.93 121.30 1udd h MET 69 Ca 0.41 -0.06 -0.13 0.00 -0.28 0.00 0.00 59.70 59.64 1udd h MET 69 Cb 0.22 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 1udd h MET 69 CO -0.16 0.70 -0.24 0.00 0.23 0.00 0.00 176.91 177.43 1udd h ALA 70 N 1.47 0.59 -0.98 0.39 0.00 -1.46 -0.58 119.26 118.68 1udd h ALA 70 Ca 0.44 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1udd h ALA 70 Cb 0.25 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1udd h ALA 70 CO -0.20 0.58 0.62 1.49 0.00 0.00 0.00 179.25 181.75 1udd h GLU 71 N 0.72 1.30 -0.03 0.00 4.81 -0.57 -2.02 114.58 118.79 1udd h GLU 71 Ca 0.09 -0.09 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 1udd h GLU 71 Cb 0.81 -0.29 0.01 0.00 0.63 0.00 0.00 28.75 29.92 1udd h GLU 71 CO 0.07 0.88 -0.96 -0.07 -0.73 0.00 0.00 179.01 178.20 1udd h LEU 72 N 1.33 0.83 -1.18 1.64 4.07 -0.68 -2.96 115.31 118.36 1udd h LEU 72 Ca 0.36 -0.64 -0.08 0.00 0.08 0.00 0.00 57.88 57.59 1udd h LEU 72 Cb -0.12 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.36 1udd h LEU 72 CO -0.07 1.44 -0.40 -0.29 -1.08 0.00 0.00 178.44 178.04 1udd h ILE 73 N 0.39 1.21 -0.59 1.22 6.09 -0.98 -1.26 117.51 123.59 1udd h ILE 73 Ca -0.10 -1.40 -0.06 0.00 -1.37 0.00 0.00 64.86 61.93 1udd h ILE 73 Cb 1.60 1.77 -0.02 0.00 0.47 0.00 0.00 36.82 40.64 1udd h ILE 73 CO 0.19 0.39 0.14 -0.08 -3.07 0.00 0.00 178.15 175.72 1udd h GLU 74 N 0.00 0.95 -0.51 2.19 4.57 -1.36 0.23 114.58 120.66 1udd h GLU 74 Ca -0.00 -0.23 -0.12 0.00 -1.18 0.00 0.00 59.36 57.82 1udd h GLU 74 Cb 0.74 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 1udd h GLU 74 CO 0.05 0.88 -0.16 1.25 -1.18 0.00 0.00 179.01 179.85 1udd h LEU 75 N 0.86 1.00 -0.44 1.64 5.85 -1.30 0.09 115.31 123.01 1udd h LEU 75 Ca 0.19 -0.35 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 1udd h LEU 75 Cb 0.35 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1udd h LEU 75 CO 0.00 1.14 0.06 0.00 -0.34 0.00 0.00 178.44 179.30 1udd h ALA 76 N 0.93 0.59 -0.34 1.25 0.00 -0.87 -2.03 119.26 118.79 1udd h ALA 76 Ca 0.13 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1udd h ALA 76 Cb 0.73 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1udd h ALA 76 CO 0.06 0.32 0.20 -0.09 0.00 0.00 0.00 179.25 179.74 1udd h ARG 77 N 0.60 0.47 -0.42 0.00 1.12 -0.33 -2.48 114.38 113.33 1udd h ARG 77 Ca 0.13 -0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 58.93 1udd h ARG 77 Cb 0.40 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 30.24 1udd h ARG 77 CO 0.01 0.36 0.15 -0.44 -3.11 0.00 0.00 179.97 176.95 1udd h ASP 78 N 0.44 0.55 -0.74 -3.80 3.32 -0.86 -2.06 116.42 113.26 1udd h ASP 78 Ca 0.12 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1udd h ASP 78 Cb 0.02 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 1udd h ASP 78 CO -0.02 0.51 0.47 -0.33 -1.72 0.00 0.00 179.24 178.15 1udd h GLU 79 N 0.60 0.89 -0.60 3.56 4.39 -0.90 -1.05 114.58 121.47 1udd h GLU 79 Ca 0.15 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1udd h GLU 79 Cb 0.15 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1udd h GLU 79 CO -0.01 0.59 0.00 1.33 -1.16 0.00 0.00 179.01 179.76 1udd n VAL 80 N -4.63 0.97 0.00 3.13 0.24 -0.91 -3.34 118.33 113.78 1udd n VAL 80 Ca 0.08 -0.83 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 1udd n VAL 80 Cb 0.09 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 1udd n VAL 80 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1udd n THR 81 N 1.15 0.00 -0.16 3.34 -2.24 -0.82 -4.61 114.28 110.94 1udd n THR 81 Ca 0.20 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.96 1udd n THR 81 Cb 0.56 -0.21 0.06 0.00 -2.10 0.00 0.00 70.33 68.64 1udd n THR 81 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1udd h VAL 82 N 0.00 0.61 -0.01 2.28 2.07 -1.73 -0.90 116.25 118.57 1udd h VAL 82 Ca 0.00 -0.04 -0.12 0.00 0.82 0.00 0.00 66.70 67.35 1udd h VAL 82 Cb 0.00 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1udd h VAL 82 CO 0.00 0.02 -0.58 -0.33 0.02 0.00 0.00 177.57 176.70 1udd h GLU 83 N 0.12 0.04 -0.26 1.57 4.39 -1.34 -1.81 114.58 117.29 1udd h GLU 83 Ca 0.25 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.80 1udd h GLU 83 Cb 0.38 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1udd h GLU 83 CO -0.41 0.61 -0.36 0.28 -1.16 0.00 0.00 179.01 177.97 1udd h VAL 84 N 0.03 1.29 -0.38 3.13 2.07 -1.41 0.12 116.25 121.11 1udd h VAL 84 Ca -0.01 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.00 1udd h VAL 84 Cb 1.03 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1udd h VAL 84 CO 0.08 0.47 0.16 -0.33 0.02 0.00 0.00 177.57 177.97 1udd h GLU 85 N 0.48 0.56 -0.57 1.57 5.08 -0.82 0.14 114.58 121.02 1udd h GLU 85 Ca 0.05 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1udd h GLU 85 Cb 0.85 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1udd h GLU 85 CO 0.07 0.53 0.04 -0.91 -1.00 0.00 0.00 179.01 177.74 1udd h ASN 86 N 0.47 0.95 -0.85 1.42 2.35 -1.17 -1.96 115.58 116.78 1udd h ASN 86 Ca 0.13 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1udd h ASN 86 Cb 0.18 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.25 1udd h ASN 86 CO -0.01 1.00 0.48 0.22 -1.65 0.00 0.00 177.43 177.47 1udd h TYR 87 N 0.86 1.16 -0.56 1.19 3.20 -0.46 -0.66 116.97 121.70 1udd h TYR 87 Ca 0.16 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 1udd h TYR 87 Cb 0.49 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1udd h TYR 87 CO 0.04 0.80 0.06 0.28 -1.64 0.00 0.00 178.16 177.70 1udd h VAL 88 N 1.19 1.26 -0.76 1.81 2.07 -0.46 0.56 116.25 121.92 1udd h VAL 88 Ca 0.30 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 1udd h VAL 88 Cb 0.01 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1udd h VAL 88 CO -0.05 0.37 0.36 0.50 0.02 0.00 0.00 177.57 178.78 1udd h LYS 89 N 0.85 1.09 -0.20 1.57 3.64 -0.69 -0.19 116.57 122.63 1udd h LYS 89 Ca 0.17 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1udd h LYS 89 Cb 0.46 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1udd h LYS 89 CO 0.02 0.84 -0.03 1.25 -2.27 0.00 0.00 179.45 179.26 1udd h LEU 90 N 1.08 0.37 -1.06 5.20 5.85 -0.82 -2.49 115.31 123.45 1udd h LEU 90 Ca 0.26 -0.35 0.11 0.00 0.84 0.00 0.00 57.88 58.75 1udd h LEU 90 Cb 0.11 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 1udd h LEU 90 CO -0.03 0.63 0.62 -0.07 -0.34 0.00 0.00 178.44 179.25 1udd h LEU 91 N 0.11 0.91 0.55 2.25 3.38 -0.41 -2.51 115.31 119.59 1udd h LEU 91 Ca 0.05 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1udd h LEU 91 Cb 0.46 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.06 1udd h LEU 91 CO 0.02 0.51 -0.27 0.50 0.09 0.00 0.00 178.44 179.29 1udd h LYS 92 N 0.99 -0.72 -0.74 1.13 3.64 -0.83 0.15 116.57 120.19 1udd h LYS 92 Ca 0.47 0.05 0.22 0.00 -1.27 0.00 0.00 60.65 60.11 1udd h LYS 92 Cb 0.43 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 1udd h LYS 92 CO -0.23 -0.46 0.66 0.93 -2.27 0.00 0.00 179.45 178.08 1udd h GLU 93 N -0.79 0.00 -0.59 1.90 5.08 -1.02 0.65 114.58 119.80 1udd h GLU 93 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1udd h GLU 93 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1udd h GLU 93 CO 0.12 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.41 1udd n LEU 94 N -3.87 3.21 -3.55 1.33 4.77 -0.83 -4.94 117.00 113.12 1udd n LEU 94 Ca 0.15 -1.61 -0.20 0.00 -0.03 0.00 0.00 56.01 54.33 1udd n LEU 94 Cb 0.93 -0.40 0.07 0.00 -2.33 0.00 0.00 43.42 41.69 1udd n LEU 94 CO 0.32 0.78 0.10 0.47 -1.33 0.00 0.00 177.39 177.73 1udd n ASP 95 N 1.19 -2.89 -4.22 -1.43 8.00 0.23 -5.01 116.55 112.42 1udd n ASP 95 Ca 0.20 -0.65 -0.13 0.00 0.71 0.00 0.00 54.79 54.91 1udd n ASP 95 Cb 0.52 -4.82 -0.10 0.00 -0.02 0.00 0.00 41.12 36.69 1udd n ASP 95 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1udd s LEU 96 N -6.67 2.46 0.19 0.64 1.43 0.45 -5.01 118.68 112.16 1udd s LEU 96 Ca 0.16 -1.04 0.08 0.00 -1.03 0.00 0.00 54.13 52.30 1udd s LEU 96 Cb -0.07 -0.21 -0.04 0.00 0.03 0.00 0.00 46.19 45.90 1udd s LEU 96 CO 0.75 -0.42 -0.16 0.42 0.23 0.00 0.00 176.35 177.18 1udd s THR 97 N -3.48 1.75 0.37 5.49 -4.23 -1.26 -3.38 115.64 110.90 1udd s THR 97 Ca 0.16 -2.09 0.13 0.00 -1.18 0.00 0.00 61.69 58.72 1udd s THR 97 Cb 0.04 -1.95 0.35 0.00 1.34 0.00 0.00 72.50 72.29 1udd s THR 97 CO -0.01 -0.49 1.81 0.25 -0.54 0.00 0.00 174.62 175.64 1udd h LEU 98 N 2.84 0.56 -0.61 4.79 5.85 -1.96 0.29 115.31 127.06 1udd h LEU 98 Ca -0.39 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.50 1udd h LEU 98 Cb 1.22 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 42.13 1udd h LEU 98 CO 0.58 0.20 0.18 -0.33 -0.34 0.00 0.00 178.44 178.72 1udd h GLU 99 N 0.54 0.32 -0.68 1.25 4.39 -1.98 0.40 114.58 118.82 1udd h GLU 99 Ca 0.53 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.20 1udd h GLU 99 Cb 1.13 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.67 1udd h GLU 99 CO -0.27 0.21 0.36 -0.44 -1.16 0.00 0.00 179.01 177.71 1udd h ASP 100 N 0.33 0.86 0.72 1.42 3.32 -0.84 -0.21 116.42 122.02 1udd h ASP 100 Ca 0.32 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 1udd h ASP 100 Cb 0.44 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.78 1udd h ASP 100 CO -0.36 0.72 -0.35 0.00 -1.72 0.00 0.00 179.24 177.54 1udd h ALA 101 N 1.17 -0.97 -0.91 3.45 0.00 -0.53 -1.50 119.26 119.98 1udd h ALA 101 Ca 0.24 -0.22 0.17 0.00 0.00 0.00 0.00 54.91 55.10 1udd h ALA 101 Cb 0.06 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1udd h ALA 101 CO -0.04 -1.01 0.59 0.82 0.00 0.00 0.00 179.25 179.61 1udd h ILE 102 N -1.04 0.76 0.00 0.00 2.04 -0.15 0.50 117.51 119.63 1udd h ILE 102 Ca -0.10 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1udd h ILE 102 Cb 0.76 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1udd h ILE 102 CO 0.16 0.11 0.00 1.17 0.00 0.00 0.00 178.15 179.59 1udd n LYS 103 N -4.57 0.22 -2.00 2.37 4.81 -0.10 -4.87 118.16 114.02 1udd n LYS 103 Ca 0.19 0.18 -0.42 0.00 -0.87 0.00 0.00 58.31 57.39 1udd n LYS 103 Cb 0.57 -1.76 -0.03 0.00 0.02 0.00 0.00 35.03 33.83 1udd n LYS 103 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1udd s THR 104 N -3.08 2.75 -0.18 3.15 2.01 0.17 -4.97 115.64 115.49 1udd s THR 104 Ca 0.11 0.56 -0.29 0.00 0.31 0.00 0.00 61.69 62.38 1udd s THR 104 Cb 0.13 -3.36 -0.00 0.00 0.01 0.00 0.00 72.50 69.28 1udd s THR 104 CO 0.59 0.06 1.04 -0.70 -0.69 0.00 0.00 174.62 174.91 1udd s GLU 105 N 0.70 4.32 0.20 4.92 2.12 -1.26 -5.00 118.70 124.70 1udd s GLU 105 Ca 0.66 1.39 -0.30 0.00 0.36 0.00 0.00 54.97 57.08 1udd s GLU 105 Cb -0.42 -3.61 -0.08 0.00 0.26 0.00 0.00 34.13 30.28 1udd s GLU 105 CO 0.34 -0.51 1.16 -2.14 -0.54 0.00 0.00 175.26 173.58 1udd s PRO 106 N 2.74 4.54 1.11 4.30 0.02 -1.26 -5.01 135.00 141.43 1udd s PRO 106 Ca 0.46 1.83 -0.12 0.00 0.02 0.00 0.00 61.00 63.19 1udd s PRO 106 Cb -0.17 -3.24 0.25 0.00 0.02 0.00 0.00 34.50 31.37 1udd s PRO 106 CO 0.11 -0.00 1.05 0.95 -0.33 0.00 0.00 177.00 178.78 1udd s THR 107 N -0.31 2.06 0.14 0.99 -4.23 -1.26 -4.74 115.64 108.29 1udd s THR 107 Ca 0.50 0.02 -0.18 0.00 -1.18 0.00 0.00 61.69 60.86 1udd s THR 107 Cb -0.32 -2.11 -0.02 0.00 1.34 0.00 0.00 72.50 71.39 1udd s THR 107 CO 0.37 -0.02 1.80 0.25 -0.54 0.00 0.00 174.62 176.48 1udd h LEU 108 N -2.43 0.35 -0.56 4.79 5.85 -1.97 -2.37 115.31 118.97 1udd h LEU 108 Ca -0.58 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.25 1udd h LEU 108 Cb 1.32 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 42.17 1udd h LEU 108 CO 0.49 0.25 0.02 0.58 -0.34 0.00 0.00 178.44 179.44 1udd h VAL 109 N 0.41 0.57 0.70 1.05 2.07 -1.97 0.62 116.25 119.70 1udd h VAL 109 Ca 0.11 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 1udd h VAL 109 Cb -0.04 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1udd h VAL 109 CO -0.03 0.02 -0.45 -1.13 0.02 0.00 0.00 177.57 176.00 1udd h ASN 110 N 0.14 -1.15 -0.39 0.57 -0.73 -1.83 -0.17 115.58 112.01 1udd h ASN 110 Ca 0.29 0.07 0.08 0.00 1.87 0.00 0.00 56.30 58.61 1udd h ASN 110 Cb 0.45 0.34 -0.08 0.00 0.27 0.00 0.00 38.32 39.30 1udd h ASN 110 CO -0.46 -0.69 -0.17 0.28 -0.37 0.00 0.00 177.43 176.02 1udd h SER 111 N -1.09 -0.59 -0.22 1.15 0.02 -1.00 -1.23 113.55 110.58 1udd h SER 111 Ca -0.09 0.14 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1udd h SER 111 Cb 0.89 0.33 -0.05 0.00 0.14 0.00 0.00 62.40 63.71 1udd h SER 111 CO 0.08 -0.21 -0.10 0.00 -1.14 0.00 0.00 176.83 175.47 1udd h ALA 112 N 1.20 0.10 -0.17 3.77 0.00 -0.76 0.25 119.26 123.66 1udd h ALA 112 Ca 0.19 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1udd h ALA 112 Cb 0.39 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1udd h ALA 112 CO -0.46 -0.51 0.08 -0.92 0.00 0.00 0.00 179.25 177.44 1udd h TYR 113 N -0.06 0.15 -0.53 0.00 3.20 -0.38 0.13 116.97 119.49 1udd h TYR 113 Ca 0.12 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1udd h TYR 113 Cb 0.24 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1udd h TYR 113 CO -0.27 0.09 0.27 0.52 -1.64 0.00 0.00 178.16 177.14 1udd h MET 114 N 0.18 0.73 -0.34 1.82 2.86 -0.96 -1.91 114.93 117.31 1udd h MET 114 Ca 0.07 -0.08 -0.12 0.00 -2.06 0.00 0.00 59.70 57.51 1udd h MET 114 Cb 0.01 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 1udd h MET 114 CO -0.05 0.55 -0.28 -0.44 1.06 0.00 0.00 176.91 177.76 1udd h ASP 115 N 0.74 0.72 -0.80 1.22 3.32 -0.00 -1.50 116.42 120.10 1udd h ASP 115 Ca 0.19 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1udd h ASP 115 Cb 0.05 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 1udd h ASP 115 CO -0.03 0.96 0.45 0.15 -1.72 0.00 0.00 179.24 179.05 1udd h PHE 116 N 0.60 1.09 0.34 4.55 3.57 -0.25 0.27 116.94 127.12 1udd h PHE 116 Ca 0.08 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1udd h PHE 116 Cb 0.78 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1udd h PHE 116 CO 0.04 0.75 -0.16 0.52 -2.23 0.00 0.00 178.31 177.23 1udd h MET 117 N 1.11 -0.44 -0.40 1.11 2.86 -0.92 -0.94 114.93 117.31 1udd h MET 117 Ca 0.28 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.94 1udd h MET 117 Cb 0.01 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1udd h MET 117 CO -0.05 -0.24 0.19 1.25 1.06 0.00 0.00 176.91 179.12 1udd h LEU 118 N -0.55 0.53 -0.92 1.22 5.85 -1.11 -0.95 115.31 119.39 1udd h LEU 118 Ca -0.05 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1udd h LEU 118 Cb 0.41 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1udd h LEU 118 CO 0.08 0.52 0.58 0.00 -0.34 0.00 0.00 178.44 179.28 1udd h ALA 119 N 1.03 1.17 -0.32 1.25 0.00 -0.44 -0.71 119.26 121.24 1udd h ALA 119 Ca 0.14 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1udd h ALA 119 Cb 0.13 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1udd h ALA 119 CO -0.02 0.61 -0.47 1.15 0.00 0.00 0.00 179.25 180.52 1udd h THR 120 N 1.26 1.28 -0.90 0.00 2.02 -0.91 -1.34 112.91 114.31 1udd h THR 120 Ca 0.33 -1.65 -0.01 0.00 0.77 0.00 0.00 66.41 65.85 1udd h THR 120 Cb -0.09 1.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 1udd h THR 120 CO -0.07 0.54 0.51 0.00 0.37 0.00 0.00 175.52 176.88 1udd h ALA 121 N 0.78 1.20 0.06 6.16 0.00 -0.80 -1.58 119.26 125.08 1udd h ALA 121 Ca 0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1udd h ALA 121 Cb 1.06 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1udd h ALA 121 CO 0.11 0.66 -0.03 -0.92 0.00 0.00 0.00 179.25 179.07 1udd h TYR 122 N 1.26 -0.07 0.00 0.00 5.03 -0.93 -3.35 116.97 118.90 1udd h TYR 122 Ca 0.32 -0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.51 1udd h TYR 122 Cb -0.00 0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.28 1udd h TYR 122 CO 0.01 0.34 -0.58 1.57 -1.32 0.00 0.00 178.16 178.18 1udd h LYS 123 N -0.49 0.00 -6.32 1.82 2.10 -1.25 -3.47 116.57 108.95 1udd h LYS 123 Ca -0.01 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 58.17 1udd h LYS 123 Cb 0.44 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1udd h LYS 123 CO 0.01 0.55 -0.28 0.20 -2.00 0.00 0.00 179.45 177.93 1udd s GLY 124 N -4.50 2.03 0.93 0.07 0.00 -0.60 -5.10 107.32 100.15 1udd s GLY 124 Ca 0.04 -1.79 -0.16 0.00 0.00 0.00 0.00 44.72 42.81 1udd s GLY 124 CO 0.76 -1.64 0.83 1.16 0.00 0.00 0.00 173.10 174.20 1udd n ASN 125 N -1.78 -1.80 -0.00 1.64 0.23 -1.26 -4.69 115.26 107.59 1udd n ASN 125 Ca 0.07 -1.01 -0.04 0.00 -0.53 0.00 0.00 54.58 53.07 1udd n ASN 125 Cb 0.61 -0.76 0.20 0.00 -2.08 0.00 0.00 39.78 37.75 1udd n ASN 125 CO 0.00 0.00 0.00 0.16 -0.93 0.00 0.00 177.26 176.49 1udd h ILE 126 N -2.42 1.26 -0.69 1.53 3.07 -1.92 -1.48 117.51 116.86 1udd h ILE 126 Ca -0.31 -1.21 -0.07 0.00 1.55 0.00 0.00 64.86 64.82 1udd h ILE 126 Cb 0.95 1.27 -0.03 0.00 -0.27 0.00 0.00 36.82 38.74 1udd h ILE 126 CO 0.20 0.39 0.16 0.40 -1.05 0.00 0.00 178.15 178.26 1udd h ILE 127 N 0.47 1.26 -0.26 0.16 1.08 -1.97 0.11 117.51 118.36 1udd h ILE 127 Ca 0.07 -0.96 -0.14 0.00 -0.39 0.00 0.00 64.86 63.44 1udd h ILE 127 Cb 0.63 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 34.92 1udd h ILE 127 CO 0.04 0.37 -0.41 -0.33 -0.69 0.00 0.00 178.15 177.13 1udd h GLU 128 N 1.04 0.63 -0.01 2.37 5.08 -1.84 0.04 114.58 121.90 1udd h GLU 128 Ca 0.22 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1udd h GLU 128 Cb 0.37 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1udd h GLU 128 CO 0.00 0.93 -0.00 0.78 -1.00 0.00 0.00 179.01 179.72 1udd h GLY 129 N 1.01 0.02 1.10 -3.84 0.00 -0.80 -2.40 103.07 98.15 1udd h GLY 129 Ca 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 1udd h GLY 129 CO 0.08 0.01 0.53 1.41 0.00 0.00 0.00 176.54 178.58 1udd h LEU 130 N -0.30 1.05 -2.00 3.11 3.38 -0.73 -1.38 115.31 118.44 1udd h LEU 130 Ca 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1udd h LEU 130 Cb 0.32 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1udd h LEU 130 CO 0.00 0.81 -0.05 0.74 0.09 0.00 0.00 178.44 180.03 1udd h THR 131 N 1.21 0.92 0.00 0.22 2.02 -0.86 0.15 112.91 116.58 1udd h THR 131 Ca 0.32 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1udd h THR 131 Cb -0.06 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1udd h THR 131 CO -0.06 0.04 0.00 0.00 0.37 0.00 0.00 175.52 175.88 1udd h ALA 132 N 1.95 1.00 0.00 6.16 0.00 -0.73 -3.05 119.26 124.59 1udd h ALA 132 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1udd h ALA 132 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1udd h ALA 132 CO 0.01 0.00 -1.05 1.28 0.00 0.00 0.00 179.25 179.49 1udd n LEU 133 N -2.55 0.66 -0.13 0.00 4.77 0.42 -4.59 117.00 115.59 1udd n LEU 133 Ca 0.03 -0.39 -0.10 0.00 -0.03 0.00 0.00 56.01 55.51 1udd n LEU 133 Cb 0.32 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 1udd n LEU 133 CO 0.25 0.17 0.84 0.25 -1.33 0.00 0.00 177.39 177.57 1udd h LEU 134 N 0.00 0.60 -0.96 2.23 5.85 -1.13 -2.42 115.31 119.47 1udd h LEU 134 Ca 0.00 -0.25 0.15 0.00 0.84 0.00 0.00 57.88 58.62 1udd h LEU 134 Cb 0.51 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.29 1udd h LEU 134 CO 0.00 0.70 0.58 -0.65 -0.34 0.00 0.00 178.44 178.72 1udd h PRO 135 N 0.47 0.80 0.11 5.25 0.11 -1.81 0.38 132.00 137.31 1udd h PRO 135 Ca 0.12 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 1udd h PRO 135 Cb 0.35 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 1udd h PRO 135 CO 0.01 0.53 -0.08 0.00 -0.21 0.00 0.00 178.00 178.25 1udd h PHE 137 N -0.18 0.12 -0.02 0.00 -1.00 -1.14 -3.08 116.94 111.64 1udd h PHE 137 Ca -0.01 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 1udd h PHE 137 Cb 0.15 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 39.70 1udd h PHE 137 CO 0.02 0.04 -0.01 2.35 -1.61 0.00 0.00 178.31 179.10 1udd h TRP 138 N 0.18 0.06 -0.19 -0.55 2.91 -0.30 -3.24 115.95 114.82 1udd h TRP 138 Ca 0.14 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.12 1udd h TRP 138 Cb 0.14 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.76 1udd h TRP 138 CO -0.16 0.42 0.01 0.66 -1.03 0.00 0.00 178.44 178.34 1udd h SER 139 N -0.33 0.24 0.13 2.65 4.64 -1.10 -1.13 113.55 118.65 1udd h SER 139 Ca 0.01 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 1udd h SER 139 Cb 0.40 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1udd h SER 139 CO 0.00 0.29 -0.29 1.88 -0.87 0.00 0.00 176.83 177.84 1udd h TYR 140 N 0.27 0.29 0.00 4.77 -1.99 -1.58 0.94 116.97 119.67 1udd h TYR 140 Ca 0.06 -0.06 -0.21 0.00 2.00 0.00 0.00 58.73 60.53 1udd h TYR 140 Cb 0.17 -0.07 0.02 0.00 2.00 0.00 0.00 36.73 38.84 1udd h TYR 140 CO 0.00 0.53 -0.81 0.00 -0.00 0.00 0.00 178.16 177.89 1udd h ALA 141 N 1.47 0.10 -0.73 3.88 0.00 -1.42 -2.94 119.26 119.62 1udd h ALA 141 Ca 0.03 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.25 1udd h ALA 141 Cb 0.64 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1udd h ALA 141 CO 0.05 0.50 0.22 0.93 0.00 0.00 0.00 179.25 180.95 1udd h GLU 142 N 0.12 1.13 -0.20 0.00 4.39 -0.98 -0.81 114.58 118.23 1udd h GLU 142 Ca -0.10 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.36 1udd h GLU 142 Cb 1.49 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.97 1udd h GLU 142 CO 0.16 0.96 0.12 0.82 -1.16 0.00 0.00 179.01 179.92 1udd h ILE 143 N 1.08 1.08 -0.23 3.13 2.04 -0.88 0.23 117.51 123.96 1udd h ILE 143 Ca 0.23 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 1udd h ILE 143 Cb 0.31 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1udd h ILE 143 CO -0.01 0.07 0.12 0.00 0.00 0.00 0.00 178.15 178.33 1udd h ALA 144 N 1.04 0.30 -0.64 1.87 0.00 -1.32 -0.61 119.26 119.90 1udd h ALA 144 Ca 0.07 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1udd h ALA 144 Cb 0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1udd h ALA 144 CO -0.01 -0.16 0.37 1.49 0.00 0.00 0.00 179.25 180.94 1udd h GLU 145 N 0.25 0.68 -0.69 0.00 4.57 -0.96 0.30 114.58 118.74 1udd h GLU 145 Ca 0.08 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1udd h GLU 145 Cb 0.09 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 1udd h GLU 145 CO -0.01 0.45 0.41 -0.92 -1.18 0.00 0.00 179.01 177.76 1udd h TYR 146 N 0.70 0.90 -0.32 0.92 3.20 0.02 -2.77 116.97 119.62 1udd h TYR 146 Ca 0.28 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 1udd h TYR 146 Cb 0.12 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.09 1udd h TYR 146 CO -0.07 0.60 0.00 0.72 -1.64 0.00 0.00 178.16 177.78 1udd n HIS 147 N -4.40 1.18 -0.24 -3.82 8.25 -0.29 -4.77 115.22 111.14 1udd n HIS 147 Ca 0.07 -0.87 0.00 0.00 -0.26 0.00 0.00 57.72 56.66 1udd n HIS 147 Cb 0.07 -0.36 0.07 0.00 1.12 0.00 0.00 29.99 30.89 1udd n HIS 147 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1udd h LYS 148 N 2.20 -0.00 -0.09 -0.41 3.64 -0.13 -1.14 116.57 120.64 1udd h LYS 148 Ca 0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1udd h LYS 148 Cb 1.56 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.38 1udd h LYS 148 CO 0.28 -0.00 0.05 0.38 -2.27 0.00 0.00 179.45 177.90 1udd h ASP 149 N -0.00 0.10 -0.54 4.20 2.03 -1.86 -2.00 116.42 118.36 1udd h ASP 149 Ca 0.33 -0.04 0.03 0.00 -0.73 0.00 0.00 57.03 56.63 1udd h ASP 149 Cb 0.50 -0.03 -0.03 0.00 -0.83 0.00 0.00 39.33 38.95 1udd h ASP 149 CO -0.71 0.11 0.36 0.11 -1.03 0.00 0.00 179.24 178.08 1udd h LYS 150 N 0.09 0.59 0.19 4.15 1.57 -1.66 -2.71 116.57 118.80 1udd h LYS 150 Ca 0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1udd h LYS 150 Cb 0.02 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1udd h LYS 150 CO -0.01 0.39 -0.09 1.25 -0.57 0.00 0.00 179.45 180.43 1udd h LEU 151 N 0.61 -0.21 0.00 2.94 6.46 -0.85 -1.03 115.31 123.22 1udd h LEU 151 Ca 0.22 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1udd h LEU 151 Cb 0.11 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 1udd h LEU 151 CO -0.06 0.16 0.02 -2.11 -0.62 0.00 0.00 178.44 175.83 1udd n ARG 152 N -5.04 0.00 -0.01 1.25 1.85 -0.79 -0.52 116.66 113.41 1udd n ARG 152 Ca -0.09 0.20 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 1udd n ARG 152 Cb 0.24 -1.52 0.00 0.00 -1.05 0.00 0.00 32.46 30.14 1udd n ARG 152 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1udd n ASP 153 N -1.18 1.23 -4.70 2.89 -0.08 -1.00 -5.06 116.55 108.66 1udd n ASP 153 Ca 0.00 -1.64 -0.42 0.00 -1.51 0.00 0.00 54.79 51.22 1udd n ASP 153 Cb 0.02 -0.01 -0.03 0.00 2.34 0.00 0.00 41.12 43.44 1udd n ASP 153 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1udd s ASN 154 N -0.66 6.83 0.27 1.67 3.84 0.33 -4.94 114.94 122.28 1udd s ASN 154 Ca 0.01 2.21 -0.03 0.00 0.21 0.00 0.00 52.86 55.26 1udd s ASN 154 Cb 0.01 -2.57 0.35 0.00 -0.55 0.00 0.00 41.25 38.49 1udd s ASN 154 CO 0.00 -0.70 1.85 -0.65 -2.79 0.00 0.00 177.10 174.81 1udd h PRO 155 N 7.51 0.99 -6.43 0.43 0.11 -1.89 -3.42 132.00 129.29 1udd h PRO 155 Ca -0.40 -0.16 -0.58 0.00 0.11 0.00 0.00 66.00 64.98 1udd h PRO 155 Cb 1.19 -0.17 -0.09 0.00 0.11 0.00 0.00 31.00 32.04 1udd h PRO 155 CO 0.89 0.80 0.80 0.42 -0.21 0.00 0.00 178.00 180.70 1udd s ILE 156 N -5.49 4.26 0.28 4.15 1.01 -1.26 -4.95 121.20 119.20 1udd s ILE 156 Ca -0.11 0.92 0.02 0.00 0.00 0.00 0.00 60.65 61.48 1udd s ILE 156 Cb 0.16 -4.57 0.27 0.00 0.01 0.00 0.00 42.46 38.32 1udd s ILE 156 CO 0.81 -1.04 1.76 0.50 0.00 0.00 0.00 174.94 176.97 1udd h LYS 157 N 9.26 0.62 -0.66 2.79 3.64 -2.00 -1.58 116.57 128.63 1udd h LYS 157 Ca -0.24 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.09 1udd h LYS 157 Cb 1.07 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.72 1udd h LYS 157 CO 1.11 0.41 0.35 0.82 -2.27 0.00 0.00 179.45 179.86 1udd h ILE 158 N 0.63 1.21 -0.70 2.00 2.04 -1.98 0.05 117.51 120.77 1udd h ILE 158 Ca 0.51 -0.57 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 1udd h ILE 158 Cb 0.79 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1udd h ILE 158 CO -0.39 0.24 0.20 1.88 0.00 0.00 0.00 178.15 180.08 1udd h TYR 159 N 0.91 1.14 -0.22 1.37 0.05 -1.69 -0.83 116.97 117.71 1udd h TYR 159 Ca 0.23 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 1udd h TYR 159 Cb 0.07 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.47 1udd h TYR 159 CO -0.00 0.91 0.05 0.00 -1.05 0.00 0.00 178.16 178.07 1udd h ARG 160 N 1.05 0.36 0.02 4.88 3.08 -0.71 0.01 114.38 123.06 1udd h ARG 160 Ca 0.23 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.20 1udd h ARG 160 Cb 0.32 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1udd h ARG 160 CO -0.00 0.48 -0.06 0.93 -1.07 0.00 0.00 179.97 180.24 1udd h GLU 161 N 0.18 -0.11 -0.43 0.04 5.08 -0.85 -1.33 114.58 117.16 1udd h GLU 161 Ca 0.07 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.53 1udd h GLU 161 Cb 0.28 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.47 1udd h GLU 161 CO 0.00 -0.08 -0.18 2.35 -1.00 0.00 0.00 179.01 180.11 1udd h TRP 162 N -0.12 -0.44 -0.37 4.33 7.01 -0.97 -2.96 115.95 122.43 1udd h TRP 162 Ca 0.02 0.05 -0.09 0.00 2.11 0.00 0.00 58.89 60.97 1udd h TRP 162 Cb 0.14 0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.45 1udd h TRP 162 CO -0.12 -0.26 -0.13 0.78 -2.79 0.00 0.00 178.44 175.92 1udd h GLY 163 N -0.09 0.80 0.32 2.65 0.00 -0.70 -3.23 103.07 102.82 1udd h GLY 163 Ca 0.21 -0.69 0.23 0.00 0.00 0.00 0.00 47.33 47.09 1udd h GLY 163 CO -0.49 0.62 0.61 0.50 0.00 0.00 0.00 176.54 177.79 1udd h LYS 164 N 0.53 0.00 -0.95 4.80 1.79 -1.07 -1.75 116.57 119.91 1udd h LYS 164 Ca 0.09 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.68 1udd h LYS 164 Cb 0.65 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.22 1udd h LYS 164 CO 0.04 0.00 0.58 0.28 -1.08 0.00 0.00 179.45 179.27 1udd h VAL 165 N 0.00 0.88 0.00 0.50 2.07 -1.59 -1.91 116.25 116.20 1udd h VAL 165 Ca 0.38 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1udd h VAL 165 Cb 1.61 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1udd h VAL 165 CO -0.00 0.16 0.00 -1.22 0.02 0.00 0.00 177.57 176.53 1udd n TYR 166 N -4.68 0.52 0.99 1.57 4.02 -0.66 -3.03 117.16 115.89 1udd n TYR 166 Ca 0.18 0.17 0.11 0.00 -0.01 0.00 0.00 57.90 58.35 1udd n TYR 166 Cb 0.36 -0.78 0.05 0.00 -0.02 0.00 0.00 39.34 38.96 1udd n TYR 166 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1udd n LEU 167 N -1.95 0.76 -4.72 7.72 7.99 -0.73 -4.61 117.00 121.46 1udd n LEU 167 Ca 0.05 -0.26 -0.35 0.00 -0.01 0.00 0.00 56.01 55.44 1udd n LEU 167 Cb 0.32 -0.12 0.09 0.00 -0.11 0.00 0.00 43.42 43.60 1udd n LEU 167 CO 0.25 0.19 0.82 -0.94 -1.51 0.00 0.00 177.39 176.19 1udd s SER 168 N -3.02 4.28 0.31 -1.43 1.04 -1.15 -4.85 113.70 108.88 1udd s SER 168 Ca 0.09 2.41 0.03 0.00 0.48 0.00 0.00 55.95 58.96 1udd s SER 168 Cb 0.17 -2.60 0.50 0.00 0.10 0.00 0.00 66.02 64.19 1udd s SER 168 CO 0.79 -2.21 1.82 0.78 0.98 0.00 0.00 173.24 175.40 1udd h ASN 169 N -0.11 0.55 -0.26 7.02 2.35 -1.93 -1.58 115.58 121.62 1udd h ASN 169 Ca -0.48 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.12 1udd h ASN 169 Cb 1.30 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.52 1udd h ASN 169 CO 0.50 0.66 0.09 -0.33 -1.65 0.00 0.00 177.43 176.70 1udd h GLU 170 N 0.54 0.41 -0.52 0.81 3.07 -1.94 0.41 114.58 117.35 1udd h GLU 170 Ca 0.11 -0.08 -0.09 0.00 -0.50 0.00 0.00 59.36 58.79 1udd h GLU 170 Cb 0.42 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 1udd h GLU 170 CO 0.02 0.47 -0.03 -0.92 -1.40 0.00 0.00 179.01 177.15 1udd h TYR 171 N 0.26 1.03 -0.40 4.33 3.20 -1.78 -1.23 116.97 122.40 1udd h TYR 171 Ca 0.09 -0.19 -0.07 0.00 3.14 0.00 0.00 58.73 61.70 1udd h TYR 171 Cb 0.22 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 1udd h TYR 171 CO 0.00 0.96 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.38 1udd h LEU 172 N 0.81 0.62 -0.51 2.82 3.38 -1.09 -2.13 115.31 119.21 1udd h LEU 172 Ca 0.14 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1udd h LEU 172 Cb 0.57 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1udd h LEU 172 CO 0.03 0.71 -0.73 0.78 0.09 0.00 0.00 178.44 179.33 1udd h ASN 173 N 0.61 0.17 -0.09 -0.43 -0.26 0.10 -1.60 115.58 114.08 1udd h ASN 173 Ca 0.12 -0.12 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1udd h ASN 173 Cb 0.43 -0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 37.64 1udd h ASN 173 CO 0.02 0.84 0.01 0.25 -1.06 0.00 0.00 177.43 177.49 1udd h LEU 174 N 0.09 0.15 -0.84 1.61 5.85 -0.88 0.26 115.31 121.56 1udd h LEU 174 Ca -0.02 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1udd h LEU 174 Cb 1.28 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 1udd h LEU 174 CO 0.11 0.40 0.44 0.58 -0.34 0.00 0.00 178.44 179.62 1udd h VAL 175 N -0.10 1.25 -0.38 1.05 2.07 -1.38 -0.97 116.25 117.80 1udd h VAL 175 Ca 0.03 -0.65 0.05 0.00 0.82 0.00 0.00 66.70 66.95 1udd h VAL 175 Cb 0.31 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 1udd h VAL 175 CO 0.00 0.29 0.10 1.23 0.02 0.00 0.00 177.57 179.21 1udd h GLY 176 N 1.17 0.46 1.08 2.17 0.00 -0.98 -0.93 103.07 106.05 1udd h GLY 176 Ca 0.29 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 1udd h GLY 176 CO -0.04 -0.00 0.53 -0.09 0.00 0.00 0.00 176.54 176.93 1udd h ARG 177 N 0.24 1.21 -0.60 4.80 9.65 -0.38 -0.45 114.38 128.85 1udd h ARG 177 Ca 0.18 -0.11 -0.07 0.00 -1.10 0.00 0.00 59.98 58.88 1udd h ARG 177 Cb 0.18 -0.25 -0.03 0.00 -1.39 0.00 0.00 29.97 28.48 1udd h ARG 177 CO -0.21 0.85 0.11 -0.07 2.80 0.00 0.00 179.97 183.46 1udd h LEU 178 N 1.23 0.91 -0.85 3.80 3.38 -0.42 -1.87 115.31 121.50 1udd h LEU 178 Ca 0.32 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 1udd h LEU 178 Cb -0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1udd h LEU 178 CO -0.06 0.91 -0.40 0.03 0.09 0.00 0.00 178.44 179.01 1udd h ARG 179 N 0.91 0.37 -0.41 1.13 3.08 -0.59 -2.40 114.38 116.48 1udd h ARG 179 Ca 0.19 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 1udd h ARG 179 Cb 0.38 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1udd h ARG 179 CO 0.01 0.71 0.08 -0.22 -1.07 0.00 0.00 179.97 179.47 1udd h LYS 180 N 0.31 0.68 0.30 0.04 3.64 -0.66 0.28 116.57 121.16 1udd h LYS 180 Ca 0.03 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1udd h LYS 180 Cb 0.84 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1udd h LYS 180 CO 0.07 0.71 -0.16 0.82 -2.27 0.00 0.00 179.45 178.62 1udd h ILE 181 N 0.54 0.67 -0.68 2.00 2.04 -1.22 -0.69 117.51 120.17 1udd h ILE 181 Ca 0.13 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.01 1udd h ILE 181 Cb 0.36 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1udd h ILE 181 CO 0.01 0.00 0.44 0.40 0.00 0.00 0.00 178.15 178.99 1udd h ILE 182 N -0.42 1.13 0.00 -0.67 2.04 -1.27 -2.80 117.51 115.51 1udd h ILE 182 Ca -0.04 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1udd h ILE 182 Cb 0.34 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1udd h ILE 182 CO 0.05 0.16 -0.02 0.44 0.00 0.00 0.00 178.15 178.78 1udd h ASP 183 N 0.87 0.00 -0.21 1.72 3.32 -0.16 -2.74 116.42 119.23 1udd h ASP 183 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1udd h ASP 183 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1udd h ASP 183 CO -0.08 0.02 0.00 -1.54 -1.72 0.00 0.00 179.24 175.92 1udd n SER 184 N -3.12 1.40 -4.01 6.45 3.41 -0.29 -4.80 113.62 112.66 1udd n SER 184 Ca 0.01 -1.82 -0.21 0.00 -0.26 0.00 0.00 58.87 56.58 1udd n SER 184 Cb 0.32 -0.13 0.13 0.00 -0.26 0.00 0.00 64.21 64.26 1udd n SER 184 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1udd n SER 185 N 0.20 0.83 -4.68 4.04 3.41 -1.04 -5.05 113.62 111.33 1udd n SER 185 Ca 0.13 -1.80 -0.35 0.00 -0.26 0.00 0.00 58.87 56.58 1udd n SER 185 Cb 0.25 -0.65 0.10 0.00 -0.26 0.00 0.00 64.21 63.65 1udd n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1udd n GLY 186 N -1.85 0.03 0.19 5.00 0.00 -1.26 -4.94 105.19 102.36 1udd n GLY 186 Ca 0.14 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.88 1udd n GLY 186 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1udd h HIS 187 N -0.36 0.00 -3.12 1.61 2.76 -1.96 -3.46 115.15 110.61 1udd h HIS 187 Ca -0.48 0.00 -0.46 0.00 -2.20 0.00 0.00 60.37 57.23 1udd h HIS 187 Cb 1.32 0.00 0.11 0.00 1.55 0.00 0.00 27.41 30.39 1udd h HIS 187 CO 0.43 0.28 0.23 -1.54 -1.30 0.00 0.00 177.93 176.04 1udd s SER 188 N -6.28 4.06 -1.14 3.26 1.04 -1.26 -4.30 113.70 109.08 1udd s SER 188 Ca 0.03 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1udd s SER 188 Cb 0.08 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 65.83 1udd s SER 188 CO 0.68 -2.08 0.00 0.61 0.98 0.00 0.00 173.24 173.44 1udd n GLY 189 N -3.15 1.18 0.23 7.32 0.00 -1.26 -4.90 105.19 104.60 1udd n GLY 189 Ca 0.13 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 1udd n GLY 189 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1udd h TYR 190 N 0.00 0.66 -1.00 1.61 3.20 -1.91 -2.89 116.97 116.63 1udd h TYR 190 Ca -0.22 0.02 0.21 0.00 3.14 0.00 0.00 58.73 61.87 1udd h TYR 190 Cb 0.82 -0.22 -0.11 0.00 1.54 0.00 0.00 36.73 38.76 1udd h TYR 190 CO 0.37 0.39 0.61 -0.44 -1.64 0.00 0.00 178.16 177.45 1udd h ASP 191 N 0.70 0.73 -0.46 -2.11 3.32 -1.95 0.24 116.42 116.90 1udd h ASP 191 Ca 0.22 0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.29 1udd h ASP 191 Cb -0.00 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1udd h ASP 191 CO -0.09 0.23 -0.04 0.08 -1.72 0.00 0.00 179.24 177.71 1udd h ARG 192 N 0.70 0.83 -0.67 3.56 -0.00 -1.92 -2.15 114.38 114.72 1udd h ARG 192 Ca 0.59 -0.28 -0.01 0.00 -0.00 0.00 0.00 59.98 60.28 1udd h ARG 192 Cb 1.00 -0.07 -0.03 0.00 -0.00 0.00 0.00 29.97 30.88 1udd h ARG 192 CO -0.39 0.90 0.39 -0.07 -0.00 0.00 0.00 179.97 180.80 1udd h LEU 193 N 0.67 0.83 -0.03 0.08 4.07 -0.88 -1.59 115.31 118.46 1udd h LEU 193 Ca 0.12 -0.08 0.02 0.00 0.08 0.00 0.00 57.88 58.03 1udd h LEU 193 Cb 0.55 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 42.06 1udd h LEU 193 CO 0.03 0.67 -0.10 -0.09 -1.08 0.00 0.00 178.44 177.87 1udd h ARG 194 N 0.92 -0.15 -0.84 1.13 2.43 -0.41 0.16 114.38 117.62 1udd h ARG 194 Ca 0.24 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 1udd h ARG 194 Cb 0.01 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1udd h ARG 194 CO -0.04 -0.10 0.39 0.00 -1.51 0.00 0.00 179.97 178.71 1udd h ARG 195 N -0.16 1.21 -0.20 0.20 3.08 -1.20 0.76 114.38 118.08 1udd h ARG 195 Ca 0.05 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1udd h ARG 195 Cb 0.22 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1udd h ARG 195 CO -0.13 0.93 0.06 0.82 -1.07 0.00 0.00 179.97 180.59 1udd h ILE 196 N 1.19 1.19 -0.74 2.04 2.04 -0.91 -0.85 117.51 121.47 1udd h ILE 196 Ca 0.29 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 1udd h ILE 196 Cb 0.13 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1udd h ILE 196 CO -0.03 0.19 0.21 0.15 0.00 0.00 0.00 178.15 178.66 1udd h PHE 197 N 0.15 1.21 -0.41 1.37 3.57 -0.41 -0.96 116.94 121.46 1udd h PHE 197 Ca 0.07 -0.13 -0.11 0.00 3.53 0.00 0.00 57.97 61.32 1udd h PHE 197 Cb 0.23 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 1udd h PHE 197 CO 0.00 0.96 -0.19 0.82 -2.23 0.00 0.00 178.31 177.67 1udd h ILE 198 N 1.11 1.27 -0.40 1.41 2.04 -0.74 -0.83 117.51 121.37 1udd h ILE 198 Ca 0.24 -1.30 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 1udd h ILE 198 Cb 0.33 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1udd h ILE 198 CO -0.00 0.44 0.15 0.74 0.00 0.00 0.00 178.15 179.48 1udd h THR 199 N 0.71 1.20 -0.74 -0.27 2.02 -0.87 -0.65 112.91 114.31 1udd h THR 199 Ca 0.10 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 1udd h THR 199 Cb 0.71 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 1udd h THR 199 CO 0.05 0.22 0.41 1.23 0.37 0.00 0.00 175.52 177.81 1udd h GLY 200 N 0.49 1.10 1.08 2.16 0.00 -0.93 -1.28 103.07 105.69 1udd h GLY 200 Ca 0.13 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 1udd h GLY 200 CO -0.01 0.47 0.06 1.76 0.00 0.00 0.00 176.54 178.81 1udd h SER 201 N 1.04 1.07 -0.56 0.19 0.02 -0.77 -1.63 113.55 112.90 1udd h SER 201 Ca 0.26 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 1udd h SER 201 Cb 0.02 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 1udd h SER 201 CO -0.04 1.08 0.15 0.11 -1.14 0.00 0.00 176.83 176.99 1udd h LYS 202 N 1.02 0.89 -0.97 3.45 1.57 -0.57 -2.10 116.57 119.87 1udd h LYS 202 Ca 0.19 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1udd h LYS 202 Cb 0.50 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 1udd h LYS 202 CO 0.02 0.83 0.62 0.74 -0.57 0.00 0.00 179.45 181.09 1udd h PHE 203 N 0.80 1.24 -0.38 -1.35 0.04 -1.03 0.92 116.94 117.18 1udd h PHE 203 Ca 0.18 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.97 1udd h PHE 203 Cb 0.32 -0.41 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 1udd h PHE 203 CO 0.02 0.80 0.25 0.93 -0.60 0.00 0.00 178.31 179.70 1udd h GLU 204 N 1.32 0.49 -0.35 1.51 4.39 -0.88 0.38 114.58 121.44 1udd h GLU 204 Ca 0.35 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.01 1udd h GLU 204 Cb -0.12 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 1udd h GLU 204 CO -0.07 0.32 0.18 1.25 -1.16 0.00 0.00 179.01 179.53 1udd h LEU 205 N 0.50 0.45 -1.27 1.33 5.85 -0.88 -2.24 115.31 119.06 1udd h LEU 205 Ca 0.14 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1udd h LEU 205 Cb -0.04 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1udd h LEU 205 CO -0.04 0.43 0.50 0.00 -0.34 0.00 0.00 178.44 178.99 1udd h ALA 206 N 1.04 1.49 -0.44 1.25 0.00 -0.33 -0.78 119.26 121.48 1udd h ALA 206 Ca 0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1udd h ALA 206 Cb 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1udd h ALA 206 CO -0.02 0.46 0.12 0.35 0.00 0.00 0.00 179.25 180.17 1udd h PHE 207 N 1.00 0.73 -0.59 0.00 3.57 0.23 0.13 116.94 122.00 1udd h PHE 207 Ca 0.29 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 1udd h PHE 207 Cb -0.06 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 1udd h PHE 207 CO -0.00 0.67 0.18 -1.49 -2.23 0.00 0.00 178.31 175.43 1udd h TRP 208 N 0.58 0.97 -0.72 0.41 4.06 -0.86 -1.50 115.95 118.89 1udd h TRP 208 Ca 0.14 -0.10 0.01 0.00 2.06 0.00 0.00 58.89 61.00 1udd h TRP 208 Cb 0.29 -0.28 -0.04 0.00 -1.00 0.00 0.00 29.16 28.14 1udd h TRP 208 CO 0.02 0.81 0.47 1.49 -3.56 0.00 0.00 178.44 177.66 1udd h GLU 209 N 0.85 0.95 0.00 0.49 4.57 -0.77 0.15 114.58 120.82 1udd h GLU 209 Ca 0.19 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.22 1udd h GLU 209 Cb 0.30 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1udd h GLU 209 CO -0.00 0.63 -0.43 0.00 -1.18 0.00 0.00 179.01 178.03 1udd h MET 210 N 0.97 0.00 -0.04 1.92 -0.00 -0.79 0.51 114.93 117.50 1udd h MET 210 Ca 0.26 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.82 1udd h MET 210 Cb -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.48 1udd h MET 210 CO -0.06 0.43 -0.64 0.00 -0.00 0.00 0.00 176.91 176.64 1udd h ALA 211 N 1.57 0.86 -0.16 -3.00 0.00 -0.30 0.15 119.26 118.39 1udd h ALA 211 Ca -0.00 -0.57 -0.20 0.00 0.00 0.00 0.00 54.91 54.14 1udd h ALA 211 Cb 0.93 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1udd h ALA 211 CO 0.06 0.77 -0.67 2.35 0.00 0.00 0.00 179.25 181.76 1udd h TRP 212 N 0.10 0.97 0.00 0.00 2.91 -0.06 -3.20 115.95 116.67 1udd h TRP 212 Ca -0.01 -0.42 -0.05 0.00 1.13 0.00 0.00 58.89 59.54 1udd h TRP 212 Cb 1.14 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 29.63 1udd h TRP 212 CO 0.01 1.24 -0.26 0.00 -1.03 0.00 0.00 178.44 178.40 1udd h ARG 213 N 0.43 0.00 -1.97 2.65 3.08 -0.81 -3.47 114.38 114.29 1udd h ARG 213 Ca -0.04 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.83 1udd h ARG 213 Cb 1.30 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.37 1udd h ARG 213 CO 0.14 0.26 -0.26 0.41 -1.07 0.00 0.00 179.97 179.44 1udd n GLY 214 N 0.76 0.08 0.00 0.04 0.00 0.49 -5.07 105.19 101.49 1udd n GLY 214 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1udd n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93