#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pi4 s PRO 5 N 0.00 4.14 0.45 0.00 0.02 -1.26 -4.85 135.00 133.50 1pi4 s PRO 5 Ca 0.00 2.53 0.11 0.00 0.02 0.00 0.00 61.00 63.66 1pi4 s PRO 5 Cb 0.00 -3.01 1.01 0.00 0.02 0.00 0.00 34.50 32.52 1pi4 s PRO 5 CO 0.00 -0.55 2.08 0.37 -0.33 0.00 0.00 177.00 178.57 1pi4 h GLN 6 N 4.06 0.30 -0.59 5.54 4.15 -2.05 -1.70 115.11 124.81 1pi4 h GLN 6 Ca -0.49 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 58.87 1pi4 h GLN 6 Cb 1.23 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.83 1pi4 h GLN 6 CO 0.72 0.22 0.18 0.37 -1.93 0.00 0.00 178.83 178.40 1pi4 h GLN 7 N 0.30 0.90 -0.11 1.69 4.15 -1.99 0.94 115.11 120.99 1pi4 h GLN 7 Ca 0.08 -0.17 -0.12 0.00 0.77 0.00 0.00 58.65 59.22 1pi4 h GLN 7 Cb 0.01 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.56 1pi4 h GLN 7 CO -0.01 0.77 -0.38 0.82 -1.93 0.00 0.00 178.83 178.10 1pi4 h ILE 8 N 0.87 1.38 -0.31 2.39 2.04 -1.71 -2.23 117.51 119.94 1pi4 h ILE 8 Ca 0.20 -1.72 0.06 0.00 1.00 0.00 0.00 64.86 64.40 1pi4 h ILE 8 Cb 0.25 2.18 -0.06 0.00 -0.74 0.00 0.00 36.82 38.45 1pi4 h ILE 8 CO -0.01 0.51 -0.09 -1.13 0.00 0.00 0.00 178.15 177.43 1pi4 h ASN 9 N 0.02 -0.32 -0.18 1.72 -1.24 -1.09 -1.55 115.58 112.94 1pi4 h ASN 9 Ca -0.02 0.10 -0.02 0.00 0.71 0.00 0.00 56.30 57.07 1pi4 h ASN 9 Cb 1.02 0.20 -0.01 0.00 0.73 0.00 0.00 38.32 40.26 1pi4 h ASN 9 CO 0.08 -0.11 0.03 0.44 -1.29 0.00 0.00 177.43 176.57 1pi4 h ASP 10 N -0.01 0.29 0.01 1.15 3.45 -0.81 -1.25 116.42 119.25 1pi4 h ASP 10 Ca 0.15 -0.26 -0.11 0.00 0.43 0.00 0.00 57.03 57.24 1pi4 h ASP 10 Cb 0.24 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 1pi4 h ASP 10 CO -0.33 0.48 -0.32 -0.29 -1.57 0.00 0.00 179.24 177.22 1pi4 h ILE 11 N 0.09 1.28 0.06 0.35 6.09 -1.30 0.17 117.51 124.26 1pi4 h ILE 11 Ca 0.06 -1.38 -0.00 0.00 -1.37 0.00 0.00 64.86 62.16 1pi4 h ILE 11 Cb 0.31 1.46 0.00 0.00 0.47 0.00 0.00 36.82 39.07 1pi4 h ILE 11 CO 0.00 0.43 -0.03 0.58 -3.07 0.00 0.00 178.15 176.06 1pi4 h VAL 12 N 0.38 1.17 -0.61 2.19 2.07 -1.23 -1.77 116.25 118.44 1pi4 h VAL 12 Ca 0.05 -0.82 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 1pi4 h VAL 12 Cb 0.74 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 1pi4 h VAL 12 CO 0.06 0.20 0.11 0.45 0.02 0.00 0.00 177.57 178.41 1pi4 h HIS 13 N -0.46 1.02 0.00 1.57 3.86 -1.14 0.10 115.15 120.11 1pi4 h HIS 13 Ca -0.01 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 1pi4 h HIS 13 Cb 0.40 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.58 1pi4 h HIS 13 CO 0.05 0.86 -0.03 0.00 0.86 0.00 0.00 177.93 179.67 1pi4 h ARG 14 N 0.92 0.00 0.04 2.45 3.08 -0.93 -1.86 114.38 118.09 1pi4 h ARG 14 Ca 0.19 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.91 1pi4 h ARG 14 Cb 0.38 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 1pi4 h ARG 14 CO 0.01 0.03 -1.87 2.41 -1.07 0.00 0.00 179.97 179.48 1pi4 n THR 15 N -3.14 1.62 0.06 2.04 -1.04 -0.67 -4.43 114.28 108.72 1pi4 n THR 15 Ca 0.01 -0.37 -0.15 0.00 -2.04 0.00 0.00 64.05 61.50 1pi4 n THR 15 Cb 0.34 -1.84 -0.06 0.00 -1.82 0.00 0.00 70.33 66.95 1pi4 n THR 15 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1pi4 h ILE 16 N -0.51 1.38 -0.41 12.58 1.08 -0.80 -3.05 117.51 127.77 1pi4 h ILE 16 Ca -0.46 -2.44 0.02 0.00 -0.39 0.00 0.00 64.86 61.59 1pi4 h ILE 16 Cb 1.68 2.44 -0.03 0.00 -3.07 0.00 0.00 36.82 37.84 1pi4 h ILE 16 CO -0.13 0.73 0.24 0.74 -0.69 0.00 0.00 178.15 179.04 1pi4 h THR 17 N 0.25 1.03 -0.18 -0.27 2.02 -1.53 0.20 112.91 114.43 1pi4 h THR 17 Ca -0.09 -0.17 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 1pi4 h THR 17 Cb 1.62 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 1pi4 h THR 17 CO 0.17 0.09 -0.26 -0.65 0.37 0.00 0.00 175.52 175.25 1pi4 h PRO 18 N 0.48 0.34 -0.20 6.66 0.11 -1.77 -2.14 132.00 135.47 1pi4 h PRO 18 Ca 0.17 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1pi4 h PRO 18 Cb 0.02 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1pi4 h PRO 18 CO -0.08 0.57 0.10 1.25 -0.21 0.00 0.00 178.00 179.64 1pi4 h LEU 19 N 0.30 0.26 -0.96 2.35 5.85 -1.25 0.44 115.31 122.30 1pi4 h LEU 19 Ca 0.05 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1pi4 h LEU 19 Cb 0.62 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 1pi4 h LEU 19 CO 0.04 0.29 0.63 0.40 -0.34 0.00 0.00 178.44 179.46 1pi4 h ILE 20 N 0.21 1.25 -0.05 4.05 2.04 -0.74 -0.33 117.51 123.93 1pi4 h ILE 20 Ca 0.07 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1pi4 h ILE 20 Cb 0.09 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.01 1pi4 h ILE 20 CO -0.01 0.24 -0.00 -0.08 0.00 0.00 0.00 178.15 178.30 1pi4 h GLU 21 N 1.30 0.09 -0.61 2.37 4.81 -1.11 0.39 114.58 121.82 1pi4 h GLU 21 Ca 0.35 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1pi4 h GLU 21 Cb -0.14 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 1pi4 h GLU 21 CO -0.07 0.40 0.35 0.37 -0.73 0.00 0.00 179.01 179.32 1pi4 h GLN 22 N -0.22 0.84 -0.02 1.92 4.15 -0.68 -2.98 115.11 118.12 1pi4 h GLN 22 Ca 0.01 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1pi4 h GLN 22 Cb 0.36 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1pi4 h GLN 22 CO 0.00 0.63 -0.06 1.04 -1.93 0.00 0.00 178.83 178.51 1pi4 n GLN 23 N -4.58 1.71 -3.77 1.69 1.13 -0.15 -4.96 117.38 108.45 1pi4 n GLN 23 Ca 0.04 -1.16 -0.23 0.00 -1.94 0.00 0.00 57.00 53.71 1pi4 n GLN 23 Cb 0.07 -1.48 0.02 0.00 0.11 0.00 0.00 30.24 28.97 1pi4 n GLN 23 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1pi4 n LYS 24 N 0.37 -4.23 -2.71 -1.09 5.02 0.07 -4.93 118.16 110.66 1pi4 n LYS 24 Ca 0.16 0.55 -0.42 0.00 -2.02 0.00 0.00 58.31 56.58 1pi4 n LYS 24 Cb 0.42 -4.95 -0.03 0.00 -0.02 0.00 0.00 35.03 30.46 1pi4 n LYS 24 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pi4 s ILE 25 N -3.74 4.85 0.17 -0.18 1.01 -0.86 -4.96 121.20 117.48 1pi4 s ILE 25 Ca 0.03 2.04 -0.06 0.00 0.00 0.00 0.00 60.65 62.65 1pi4 s ILE 25 Cb -0.01 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.10 1pi4 s ILE 25 CO 0.84 0.11 1.50 -0.65 0.00 0.00 0.00 174.94 176.74 1pi4 h PRO 26 N 6.90 0.71 -2.83 2.79 0.11 -1.88 -3.46 132.00 134.34 1pi4 h PRO 26 Ca -0.38 -0.41 -0.11 0.00 0.11 0.00 0.00 66.00 65.21 1pi4 h PRO 26 Cb 1.20 0.03 -0.21 0.00 0.11 0.00 0.00 31.00 32.13 1pi4 h PRO 26 CO 0.78 1.03 -0.21 0.20 -0.21 0.00 0.00 178.00 179.59 1pi4 s GLY 27 N -4.01 -0.24 -0.06 -0.55 0.00 -1.20 -0.70 107.32 100.55 1pi4 s GLY 27 Ca -0.09 0.67 -0.17 0.00 0.00 0.00 0.00 44.72 45.13 1pi4 s GLY 27 CO 0.86 0.46 0.39 -0.29 0.00 0.00 0.00 173.10 174.51 1pi4 s MET 28 N -0.89 0.66 -0.01 2.90 1.75 -0.57 -2.47 119.30 120.68 1pi4 s MET 28 Ca -0.10 0.11 0.05 0.00 -1.25 0.00 0.00 55.69 54.50 1pi4 s MET 28 Cb -0.04 0.31 -0.01 0.00 2.84 0.00 0.00 34.83 37.92 1pi4 s MET 28 CO 0.04 -0.16 -0.15 0.00 -0.65 0.00 0.00 175.02 174.10 1pi4 s ALA 29 N -0.83 1.24 -0.00 4.11 0.00 0.14 -1.02 121.76 125.40 1pi4 s ALA 29 Ca -0.09 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.23 1pi4 s ALA 29 Cb -0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 1pi4 s ALA 29 CO 0.04 0.30 -0.09 0.08 0.00 0.00 0.00 175.76 176.09 1pi4 s VAL 30 N -0.39 0.71 -0.05 0.00 1.01 0.03 -0.71 120.40 121.00 1pi4 s VAL 30 Ca 0.05 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.65 1pi4 s VAL 30 Cb -0.06 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 1pi4 s VAL 30 CO -0.00 0.17 -0.19 0.00 0.00 0.00 0.00 175.10 175.07 1pi4 s ALA 31 N -0.28 1.68 -0.13 5.51 0.00 -0.31 -1.07 121.76 127.16 1pi4 s ALA 31 Ca 0.03 -0.78 -0.00 0.00 0.00 0.00 0.00 51.96 51.21 1pi4 s ALA 31 Cb -0.04 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1pi4 s ALA 31 CO -0.00 0.31 -0.13 0.08 0.00 0.00 0.00 175.76 176.03 1pi4 s VAL 32 N -0.03 3.10 -0.28 0.00 1.01 -0.04 -1.11 120.40 123.04 1pi4 s VAL 32 Ca -0.03 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 1pi4 s VAL 32 Cb -0.12 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1pi4 s VAL 32 CO 0.02 0.52 0.15 -0.63 0.00 0.00 0.00 175.10 175.17 1pi4 s ILE 33 N 0.34 4.88 -0.09 2.22 1.09 0.32 -0.89 121.20 129.07 1pi4 s ILE 33 Ca -0.10 -0.07 0.00 0.00 -1.10 0.00 0.00 60.65 59.38 1pi4 s ILE 33 Cb -0.16 -3.36 0.02 0.00 -1.06 0.00 0.00 42.46 37.91 1pi4 s ILE 33 CO 0.06 0.22 -0.08 -0.47 -0.10 0.00 0.00 174.94 174.57 1pi4 s TYR 34 N 1.69 1.34 -1.43 3.97 6.14 -0.14 -1.29 117.35 127.62 1pi4 s TYR 34 Ca 0.06 -0.59 -0.05 0.00 0.64 0.00 0.00 57.07 57.13 1pi4 s TYR 34 Cb -0.16 -1.10 0.00 0.00 0.42 0.00 0.00 41.96 41.12 1pi4 s TYR 34 CO 0.08 -0.41 0.28 1.04 0.64 0.00 0.00 175.55 177.18 1pi4 n GLN 35 N 4.59 -1.79 -1.18 4.97 6.02 -1.07 -1.34 117.38 127.58 1pi4 n GLN 35 Ca -0.16 0.23 -0.06 0.00 -0.01 0.00 0.00 57.00 57.00 1pi4 n GLN 35 Cb 0.50 -3.86 -0.03 0.00 1.02 0.00 0.00 30.24 27.87 1pi4 n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pi4 n GLY 36 N -2.25 0.87 3.01 1.08 0.00 -1.26 -5.03 105.19 101.61 1pi4 n GLY 36 Ca -0.29 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 1pi4 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pi4 s LYS 37 N -2.49 0.17 0.08 1.61 1.02 -0.45 -5.15 119.74 114.54 1pi4 s LYS 37 Ca 0.00 0.10 -0.10 0.00 0.02 0.00 0.00 55.97 55.99 1pi4 s LYS 37 Cb 0.00 0.08 -0.06 0.00 -0.52 0.00 0.00 37.83 37.33 1pi4 s LYS 37 CO 0.00 -0.03 0.40 -1.25 -0.92 0.00 0.00 175.35 173.56 1pi4 s PRO 38 N -0.10 3.76 -0.06 -1.68 0.04 -1.26 -0.97 135.00 134.73 1pi4 s PRO 38 Ca -0.02 0.17 0.02 0.00 0.04 0.00 0.00 61.00 61.22 1pi4 s PRO 38 Cb -0.02 -2.99 0.01 0.00 0.04 0.00 0.00 34.50 31.55 1pi4 s PRO 38 CO 0.00 0.55 -0.11 0.71 0.04 0.00 0.00 177.00 178.20 1pi4 s TYR 39 N -1.41 1.33 0.09 0.56 2.02 -0.07 -4.98 117.35 114.89 1pi4 s TYR 39 Ca 0.34 -0.48 0.06 0.00 -0.37 0.00 0.00 57.07 56.62 1pi4 s TYR 39 Cb -0.14 -1.00 -0.04 0.00 -0.40 0.00 0.00 41.96 40.38 1pi4 s TYR 39 CO 0.18 -0.26 -0.08 0.71 -1.57 0.00 0.00 175.55 174.53 1pi4 s TYR 40 N 0.72 2.79 -0.07 2.71 1.51 -1.26 -0.86 117.35 122.88 1pi4 s TYR 40 Ca -0.14 -0.13 -0.07 0.00 -1.01 0.00 0.00 57.07 55.73 1pi4 s TYR 40 Cb -0.16 -1.47 0.02 0.00 -0.11 0.00 0.00 41.96 40.24 1pi4 s TYR 40 CO 0.03 0.42 0.19 -0.06 -1.11 0.00 0.00 175.55 175.02 1pi4 s PHE 41 N -1.19 -0.21 0.03 2.71 0.08 -0.23 -5.01 117.98 114.16 1pi4 s PHE 41 Ca 0.21 0.52 -0.00 0.00 0.12 0.00 0.00 56.93 57.78 1pi4 s PHE 41 Cb -0.11 0.07 -0.03 0.00 -0.57 0.00 0.00 43.02 42.38 1pi4 s PHE 41 CO 0.13 -0.10 -0.04 0.95 -0.10 0.00 0.00 175.22 176.06 1pi4 s THR 42 N 0.14 0.21 -0.03 0.64 -4.23 -1.26 -0.79 115.64 110.32 1pi4 s THR 42 Ca -0.00 -1.25 -0.07 0.00 -1.18 0.00 0.00 61.69 59.18 1pi4 s THR 42 Cb -0.02 -0.75 0.01 0.00 1.34 0.00 0.00 72.50 73.08 1pi4 s THR 42 CO -0.00 -0.66 0.16 0.26 -0.54 0.00 0.00 174.62 173.84 1pi4 s TRP 43 N -2.32 -0.06 0.00 3.99 0.51 -0.19 -5.01 118.94 115.86 1pi4 s TRP 43 Ca -0.07 0.13 0.00 0.00 -2.12 0.00 0.00 56.10 54.04 1pi4 s TRP 43 Cb -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 33.47 32.63 1pi4 s TRP 43 CO -0.04 -0.21 0.00 0.41 -0.51 0.00 0.00 176.95 176.60 1pi4 n GLY 44 N 2.08 0.41 3.23 0.98 0.00 -1.26 -1.51 105.19 109.12 1pi4 n GLY 44 Ca -0.18 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 1pi4 n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pi4 s TYR 45 N 0.00 2.37 0.11 1.61 2.02 0.12 -1.26 117.35 122.33 1pi4 s TYR 45 Ca 0.00 -0.80 -0.01 0.00 -0.37 0.00 0.00 57.07 55.89 1pi4 s TYR 45 Cb 0.00 -1.57 -0.19 0.00 -0.40 0.00 0.00 41.96 39.80 1pi4 s TYR 45 CO 0.00 -0.28 1.24 0.00 -1.57 0.00 0.00 175.55 174.94 1pi4 h ALA 46 N 6.33 0.27 -2.74 3.71 0.00 -0.94 -3.18 119.26 122.71 1pi4 h ALA 46 Ca -0.28 -0.84 -0.42 0.00 0.00 0.00 0.00 54.91 53.37 1pi4 h ALA 46 Cb 1.20 -0.05 -0.38 0.00 0.00 0.00 0.00 17.79 18.56 1pi4 h ALA 46 CO 0.47 1.00 -0.71 0.34 0.00 0.00 0.00 179.25 180.35 1pi4 s ASP 47 N -7.01 2.31 0.06 0.00 -1.08 -1.01 -0.86 116.67 109.10 1pi4 s ASP 47 Ca -0.03 -0.70 -0.24 0.00 -0.52 0.00 0.00 52.55 51.06 1pi4 s ASP 47 Cb 0.08 -0.01 -0.16 0.00 -1.46 0.00 0.00 42.92 41.37 1pi4 s ASP 47 CO 0.86 -0.37 1.63 0.40 0.52 0.00 0.00 175.17 178.21 1pi4 h ILE 48 N 6.37 1.07 -0.71 4.11 2.04 -1.84 -0.97 117.51 127.58 1pi4 h ILE 48 Ca -0.17 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.45 1pi4 h ILE 48 Cb 1.11 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 38.39 1pi4 h ILE 48 CO 0.33 0.06 0.47 0.00 0.00 0.00 0.00 178.15 179.01 1pi4 h ALA 49 N 0.86 0.90 -0.28 1.87 0.00 -1.97 -2.14 119.26 118.49 1pi4 h ALA 49 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pi4 h ALA 49 Cb 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1pi4 h ALA 49 CO 0.00 0.31 0.00 1.63 0.00 0.00 0.00 179.25 181.19 1pi4 n LYS 50 N -4.60 1.89 -3.62 0.00 5.02 -1.22 -4.95 118.16 110.68 1pi4 n LYS 50 Ca 0.06 -1.36 -0.27 0.00 -2.02 0.00 0.00 58.31 54.73 1pi4 n LYS 50 Cb 0.02 -1.38 0.02 0.00 -0.02 0.00 0.00 35.03 33.68 1pi4 n LYS 50 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pi4 n LYS 51 N 0.58 -4.98 -3.25 1.97 5.02 -0.54 -4.95 118.16 112.01 1pi4 n LYS 51 Ca 0.15 0.63 -0.39 0.00 -2.02 0.00 0.00 58.31 56.68 1pi4 n LYS 51 Cb 0.36 -5.47 -0.06 0.00 -0.02 0.00 0.00 35.03 29.83 1pi4 n LYS 51 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1pi4 s GLN 52 N -6.31 4.23 0.58 1.97 -1.52 -0.48 -4.98 119.66 113.15 1pi4 s GLN 52 Ca 0.54 0.44 -0.14 0.00 -1.95 0.00 0.00 55.36 54.24 1pi4 s GLN 52 Cb -0.27 -3.53 -0.05 0.00 -0.22 0.00 0.00 33.01 28.94 1pi4 s GLN 52 CO 0.67 -0.07 1.02 -1.25 -0.25 0.00 0.00 175.29 175.40 1pi4 s PRO 53 N 1.39 3.61 0.17 2.91 0.04 -1.26 -0.45 135.00 141.40 1pi4 s PRO 53 Ca 0.25 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 61.94 1pi4 s PRO 53 Cb -0.15 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 1pi4 s PRO 53 CO 0.10 -0.55 1.22 0.08 0.04 0.00 0.00 177.00 177.88 1pi4 s VAL 54 N -2.78 3.57 0.39 -0.36 1.01 -0.39 -4.24 120.40 117.61 1pi4 s VAL 54 Ca 0.59 1.28 0.04 0.00 0.00 0.00 0.00 61.98 63.89 1pi4 s VAL 54 Cb -0.12 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1pi4 s VAL 54 CO 0.41 0.19 0.12 0.42 0.00 0.00 0.00 175.10 176.24 1pi4 s THR 55 N 0.14 0.64 -0.92 3.92 -4.23 -1.26 -4.64 115.64 109.29 1pi4 s THR 55 Ca 0.54 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.20 1pi4 s THR 55 Cb -0.33 -2.43 0.13 0.00 1.34 0.00 0.00 72.50 71.21 1pi4 s THR 55 CO 0.36 0.00 1.45 0.00 -0.54 0.00 0.00 174.62 175.89 1pi4 n GLN 56 N -0.84 0.03 0.00 3.99 6.02 -1.26 -2.27 117.38 123.05 1pi4 n GLN 56 Ca -0.05 0.30 0.10 0.00 -0.01 0.00 0.00 57.00 57.34 1pi4 n GLN 56 Cb 0.65 -1.56 0.06 0.00 1.02 0.00 0.00 30.24 30.42 1pi4 n GLN 56 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1pi4 n GLN 57 N -1.61 1.69 -2.17 -1.09 3.00 -1.26 -3.81 117.38 112.13 1pi4 n GLN 57 Ca 0.03 -1.48 -0.41 0.00 -0.01 0.00 0.00 57.00 55.12 1pi4 n GLN 57 Cb 0.16 -1.37 -0.03 0.00 0.00 0.00 0.00 30.24 29.00 1pi4 n GLN 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1pi4 s THR 58 N -1.77 3.08 -0.09 5.09 2.01 -0.96 -4.85 115.64 118.14 1pi4 s THR 58 Ca 0.21 0.90 -0.17 0.00 0.31 0.00 0.00 61.69 62.94 1pi4 s THR 58 Cb 0.16 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 1pi4 s THR 58 CO 0.30 0.14 0.44 -0.76 -0.69 0.00 0.00 174.62 174.05 1pi4 s LEU 59 N -0.23 4.33 0.10 4.42 1.43 0.19 -4.11 118.68 124.82 1pi4 s LEU 59 Ca 0.57 0.82 0.10 0.00 -1.03 0.00 0.00 54.13 54.59 1pi4 s LEU 59 Cb -0.38 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 1pi4 s LEU 59 CO 0.40 0.11 -0.25 -0.36 0.23 0.00 0.00 176.35 176.47 1pi4 s PHE 60 N 0.12 2.36 -0.06 0.29 0.40 -0.17 -1.43 117.98 119.48 1pi4 s PHE 60 Ca 0.24 -0.36 -0.30 0.00 -0.60 0.00 0.00 56.93 55.91 1pi4 s PHE 60 Cb -0.15 -1.31 -0.03 0.00 0.51 0.00 0.00 43.02 42.04 1pi4 s PHE 60 CO 0.10 0.29 1.17 -1.21 0.70 0.00 0.00 175.22 176.27 1pi4 s GLU 61 N -1.84 4.37 0.23 0.44 2.02 -1.26 -1.49 118.70 121.17 1pi4 s GLU 61 Ca 0.14 1.63 0.25 0.00 0.02 0.00 0.00 54.97 57.01 1pi4 s GLU 61 Cb -0.10 -3.55 0.60 0.00 0.10 0.00 0.00 34.13 31.18 1pi4 s GLU 61 CO 0.06 -0.42 1.63 -0.07 0.02 0.00 0.00 175.26 176.47 1pi4 h LEU 62 N 8.14 0.00 0.00 1.80 3.38 -1.42 -3.43 115.31 123.78 1pi4 h LEU 62 Ca -0.34 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1pi4 h LEU 62 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1pi4 h LEU 62 CO 0.87 0.02 0.00 0.61 0.09 0.00 0.00 178.44 180.04 1pi4 n GLY 63 N 1.27 2.73 0.00 0.83 0.00 -1.24 -2.03 105.19 106.76 1pi4 n GLY 63 Ca 0.05 -0.36 0.03 0.00 0.00 0.00 0.00 46.02 45.73 1pi4 n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pi4 n SER 64 N 0.48 0.00 0.33 1.61 3.41 -1.25 -0.80 113.62 117.40 1pi4 n SER 64 Ca 0.00 0.47 0.21 0.00 -0.26 0.00 0.00 58.87 59.30 1pi4 n SER 64 Cb 0.00 -0.48 1.11 0.00 -0.26 0.00 0.00 64.21 64.58 1pi4 n SER 64 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1pi4 h VAL 65 N 0.00 0.05 -0.27 -3.33 2.07 -1.56 -0.77 116.25 112.44 1pi4 h VAL 65 Ca 0.00 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.50 1pi4 h VAL 65 Cb 0.09 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1pi4 h VAL 65 CO 0.00 0.00 0.24 0.28 0.02 0.00 0.00 177.57 178.11 1pi4 h SER 66 N 0.00 0.00 0.11 0.57 0.02 -1.15 -1.22 113.55 111.88 1pi4 h SER 66 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1pi4 h SER 66 Cb 0.09 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 1pi4 h SER 66 CO 0.00 0.00 -0.04 0.11 -1.14 0.00 0.00 176.83 175.76 1pi4 h LYS 67 N 0.00 0.00 -0.26 3.45 1.57 -1.30 -0.93 116.57 119.11 1pi4 h LYS 67 Ca 0.13 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 1pi4 h LYS 67 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1pi4 h LYS 67 CO -0.00 0.04 -0.33 1.79 -0.57 0.00 0.00 179.45 180.38 1pi4 h THR 68 N 0.00 1.29 -0.41 -0.16 1.35 -1.40 -0.10 112.91 113.48 1pi4 h THR 68 Ca -0.00 -1.44 -0.15 0.00 -0.55 0.00 0.00 66.41 64.27 1pi4 h THR 68 Cb 0.11 1.45 -0.01 0.00 -1.73 0.00 0.00 68.15 67.96 1pi4 h THR 68 CO 0.01 0.46 -0.32 -0.26 -0.25 0.00 0.00 175.52 175.15 1pi4 h PHE 69 N 0.47 1.11 -0.69 4.73 -1.00 -1.33 -1.78 116.94 118.45 1pi4 h PHE 69 Ca 0.05 -0.31 -0.02 0.00 2.81 0.00 0.00 57.97 60.50 1pi4 h PHE 69 Cb 0.80 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 40.09 1pi4 h PHE 69 CO 0.03 1.14 0.36 1.15 -1.61 0.00 0.00 178.31 179.38 1pi4 h THR 70 N 0.77 1.22 -0.53 -1.55 2.02 -1.10 -0.14 112.91 113.59 1pi4 h THR 70 Ca 0.08 -0.58 -0.05 0.00 0.77 0.00 0.00 66.41 66.63 1pi4 h THR 70 Cb 0.91 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1pi4 h THR 70 CO 0.08 0.25 0.13 1.23 0.37 0.00 0.00 175.52 177.58 1pi4 h GLY 71 N 0.96 0.92 1.10 2.16 0.00 -0.89 -0.52 103.07 106.79 1pi4 h GLY 71 Ca 0.24 -0.57 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 1pi4 h GLY 71 CO -0.04 0.53 -0.13 -2.08 0.00 0.00 0.00 176.54 174.83 1pi4 h VAL 72 N 0.75 1.27 -0.72 4.60 2.07 -1.09 0.37 116.25 123.50 1pi4 h VAL 72 Ca 0.17 -1.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.34 1pi4 h VAL 72 Cb 0.33 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1pi4 h VAL 72 CO 0.00 0.46 0.26 0.25 0.02 0.00 0.00 177.57 178.56 1pi4 h LEU 73 N 0.91 1.00 -0.52 2.57 5.85 -0.80 0.14 115.31 124.45 1pi4 h LEU 73 Ca 0.14 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1pi4 h LEU 73 Cb 0.71 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1pi4 h LEU 73 CO 0.05 0.90 0.09 1.23 -0.34 0.00 0.00 178.44 180.38 1pi4 h GLY 74 N 1.10 0.92 0.94 3.75 0.00 -0.87 -1.47 103.07 107.45 1pi4 h GLY 74 Ca 0.24 -0.61 0.03 0.00 0.00 0.00 0.00 47.33 46.98 1pi4 h GLY 74 CO -0.02 0.56 0.66 -1.33 0.00 0.00 0.00 176.54 176.42 1pi4 h GLY 75 N 0.74 1.44 1.28 4.60 0.00 -0.12 -1.26 103.07 109.76 1pi4 h GLY 75 Ca 0.16 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 1pi4 h GLY 75 CO 0.01 0.47 0.12 -1.80 0.00 0.00 0.00 176.54 175.33 1pi4 h ASP 76 N 1.31 0.84 -0.32 0.19 1.82 -0.38 -0.63 116.42 119.25 1pi4 h ASP 76 Ca 0.39 -0.16 -0.10 0.00 -0.39 0.00 0.00 57.03 56.76 1pi4 h ASP 76 Cb -0.07 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 39.70 1pi4 h ASP 76 CO -0.10 0.83 -0.14 0.00 -1.61 0.00 0.00 179.24 178.22 1pi4 h ALA 77 N 1.28 0.98 -0.31 -0.78 0.00 -0.64 -0.02 119.26 119.75 1pi4 h ALA 77 Ca 0.18 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1pi4 h ALA 77 Cb 0.34 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1pi4 h ALA 77 CO 0.00 0.60 0.10 0.82 0.00 0.00 0.00 179.25 180.78 1pi4 h ILE 78 N 0.68 1.20 -0.20 0.00 2.04 -0.80 -1.13 117.51 119.29 1pi4 h ILE 78 Ca 0.11 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 1pi4 h ILE 78 Cb 0.62 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1pi4 h ILE 78 CO 0.04 0.22 -0.01 0.00 0.00 0.00 0.00 178.15 178.40 1pi4 h ALA 79 N 0.94 1.62 0.00 1.87 0.00 -0.74 0.00 119.26 122.95 1pi4 h ALA 79 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pi4 h ALA 79 Cb 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pi4 h ALA 79 CO -0.00 0.29 0.00 0.54 0.00 0.00 0.00 179.25 180.07 1pi4 n ARG 80 N -4.36 0.17 -0.97 0.00 1.74 -0.06 -4.90 116.66 108.29 1pi4 n ARG 80 Ca -0.00 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1pi4 n ARG 80 Cb 0.19 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1pi4 n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pi4 n GLY 81 N 0.99 0.49 0.10 -0.13 0.00 -0.01 -4.94 105.19 101.68 1pi4 n GLY 81 Ca 0.09 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1pi4 n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pi4 h GLU 82 N 0.84 0.17 -4.32 1.61 5.08 -1.41 -3.47 114.58 113.08 1pi4 h GLU 82 Ca 0.00 -0.25 -0.17 0.00 -1.00 0.00 0.00 59.36 57.94 1pi4 h GLU 82 Cb 0.00 0.09 -0.14 0.00 0.50 0.00 0.00 28.75 29.19 1pi4 h GLU 82 CO 0.00 1.07 -0.58 0.96 -1.00 0.00 0.00 179.01 179.46 1pi4 s ILE 83 N -2.87 0.09 -0.02 3.13 -4.36 -1.21 -4.83 121.20 111.13 1pi4 s ILE 83 Ca -0.02 -1.81 0.04 0.00 -0.26 0.00 0.00 60.65 58.60 1pi4 s ILE 83 Cb 0.09 -2.01 -0.00 0.00 1.25 0.00 0.00 42.46 41.79 1pi4 s ILE 83 CO 0.85 -0.43 -0.12 -0.54 0.24 0.00 0.00 174.94 174.94 1pi4 s LYS 84 N -4.03 1.16 0.57 0.37 1.02 -1.26 -4.23 119.74 113.34 1pi4 s LYS 84 Ca 0.23 -0.43 0.34 0.00 0.02 0.00 0.00 55.97 56.12 1pi4 s LYS 84 Cb 0.07 -1.08 1.69 0.00 -0.52 0.00 0.00 37.83 37.98 1pi4 s LYS 84 CO 0.02 0.21 2.13 -0.07 -0.92 0.00 0.00 175.35 176.71 1pi4 h LEU 85 N 6.11 0.00 0.00 3.17 3.38 -1.98 -1.38 115.31 124.61 1pi4 h LEU 85 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1pi4 h LEU 85 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1pi4 h LEU 85 CO 0.49 0.06 0.00 -1.54 0.09 0.00 0.00 178.44 177.53 1pi4 n SER 86 N -3.33 0.00 -4.77 -0.43 3.41 -1.26 -0.95 113.62 106.28 1pi4 n SER 86 Ca -0.01 -0.04 -0.37 0.00 -0.26 0.00 0.00 58.87 58.19 1pi4 n SER 86 Cb 0.21 -0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 63.84 1pi4 n SER 86 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1pi4 s ASP 87 N -2.63 6.14 0.37 4.04 -0.00 -0.52 -4.83 116.67 119.23 1pi4 s ASP 87 Ca 0.26 2.29 -0.27 0.00 -0.00 0.00 0.00 52.55 54.83 1pi4 s ASP 87 Cb 0.19 -2.60 -0.09 0.00 -0.00 0.00 0.00 42.92 40.42 1pi4 s ASP 87 CO 0.46 -0.94 1.20 -2.84 -0.00 0.00 0.00 175.17 173.04 1pi4 s PRO 88 N -2.74 4.20 0.32 8.23 0.02 -1.26 -1.42 135.00 142.35 1pi4 s PRO 88 Ca 0.64 1.93 0.05 0.00 0.02 0.00 0.00 61.00 63.65 1pi4 s PRO 88 Cb -0.28 -2.84 0.70 0.00 0.02 0.00 0.00 34.50 32.10 1pi4 s PRO 88 CO 0.34 -0.22 1.85 1.15 -0.33 0.00 0.00 177.00 179.79 1pi4 h THR 89 N 2.60 0.87 0.00 0.99 2.02 -1.47 -1.17 112.91 116.75 1pi4 h THR 89 Ca -0.48 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.41 1pi4 h THR 89 Cb 1.23 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1pi4 h THR 89 CO 0.64 0.15 0.00 0.71 0.37 0.00 0.00 175.52 177.39 1pi4 h THR 90 N 0.83 0.00 -0.28 3.16 1.35 -1.82 -1.76 112.91 114.39 1pi4 h THR 90 Ca 0.47 -0.14 -0.04 0.00 -0.55 0.00 0.00 66.41 66.16 1pi4 h THR 90 Cb 0.62 0.94 -0.02 0.00 -1.73 0.00 0.00 68.15 67.97 1pi4 h THR 90 CO -0.24 0.00 0.01 0.50 -0.25 0.00 0.00 175.52 175.54 1pi4 h LYS 91 N 0.00 0.42 0.00 4.72 3.64 -1.57 -2.39 116.57 121.39 1pi4 h LYS 91 Ca 0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1pi4 h LYS 91 Cb 0.16 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1pi4 h LYS 91 CO 0.00 0.45 -1.18 0.66 -2.27 0.00 0.00 179.45 177.11 1pi4 n TYR 92 N -4.32 0.00 -3.20 1.91 4.01 -0.71 -4.62 117.16 110.23 1pi4 n TYR 92 Ca 0.01 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.53 1pi4 n TYR 92 Cb 0.21 -0.09 -0.07 0.00 -0.31 0.00 0.00 39.34 39.08 1pi4 n TYR 92 CO 0.00 0.00 0.00 1.87 -0.46 0.00 0.00 176.86 178.27 1pi4 n TRP 93 N -1.64 -1.14 0.34 -0.72 -0.00 -0.91 -4.98 117.44 108.38 1pi4 n TRP 93 Ca 0.02 -3.12 0.22 0.00 -0.00 0.00 0.00 57.50 54.62 1pi4 n TRP 93 Cb 0.37 0.21 1.18 0.00 -0.00 0.00 0.00 31.31 33.07 1pi4 n TRP 93 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 1pi4 h PRO 94 N 4.73 0.00 0.00 5.87 0.13 -1.69 -0.98 132.00 140.06 1pi4 h PRO 94 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1pi4 h PRO 94 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1pi4 h PRO 94 CO 0.38 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.08 1pi4 h GLU 95 N 0.00 0.00 -5.62 0.86 3.07 -1.94 -3.36 114.58 107.59 1pi4 h GLU 95 Ca 0.00 0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 58.20 1pi4 h GLU 95 Cb 0.04 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 27.83 1pi4 h GLU 95 CO -0.00 0.00 1.60 -1.17 -1.40 0.00 0.00 179.01 178.04 1pi4 s LEU 96 N -4.84 4.14 0.03 1.33 2.96 -0.37 -4.74 118.68 117.18 1pi4 s LEU 96 Ca 0.02 -2.14 0.23 0.00 -0.22 0.00 0.00 54.13 52.02 1pi4 s LEU 96 Cb 0.09 -2.52 0.05 0.00 0.50 0.00 0.00 46.19 44.32 1pi4 s LEU 96 CO 0.39 -1.19 1.04 0.35 -1.32 0.00 0.00 176.35 175.62 1pi4 n THR 97 N 6.11 0.11 -1.84 3.68 -2.24 -1.26 -4.84 114.28 113.99 1pi4 n THR 97 Ca 0.37 -0.17 -0.41 0.00 -2.27 0.00 0.00 64.05 61.58 1pi4 n THR 97 Cb 0.48 0.35 -0.00 0.00 -2.10 0.00 0.00 70.33 69.06 1pi4 n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pi4 s ALA 98 N -3.14 3.53 0.56 6.98 0.00 -1.26 -4.89 121.76 123.53 1pi4 s ALA 98 Ca 0.05 1.52 0.33 0.00 0.00 0.00 0.00 51.96 53.86 1pi4 s ALA 98 Cb 0.15 -3.59 1.88 0.00 0.00 0.00 0.00 23.12 21.56 1pi4 s ALA 98 CO 0.80 -1.02 2.24 0.87 0.00 0.00 0.00 175.76 178.65 1pi4 h LYS 99 N 2.97 0.00 0.00 0.00 1.57 -1.94 -2.21 116.57 116.96 1pi4 h LYS 99 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1pi4 h LYS 99 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1pi4 h LYS 99 CO 0.64 0.03 0.00 -0.56 -0.57 0.00 0.00 179.45 178.99 1pi4 h GLN 100 N 0.00 0.00 0.00 3.15 -0.00 -1.94 -2.17 115.11 114.15 1pi4 h GLN 100 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1pi4 h GLN 100 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.57 1pi4 h GLN 100 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 178.83 179.74 1pi4 n TRP 101 N -2.43 0.33 -1.90 0.06 7.02 -0.83 -4.72 117.44 114.97 1pi4 n TRP 101 Ca 0.01 0.10 -0.42 0.00 -1.02 0.00 0.00 57.50 56.16 1pi4 n TRP 101 Cb 0.18 -0.66 -0.03 0.00 -2.42 0.00 0.00 31.31 28.38 1pi4 n TRP 101 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1pi4 s ASN 102 N -3.54 6.58 0.00 -0.99 0.01 -0.82 -1.80 114.94 114.37 1pi4 s ASN 102 Ca 0.12 2.54 0.00 0.00 -0.71 0.00 0.00 52.86 54.81 1pi4 s ASN 102 Cb 0.16 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.26 1pi4 s ASN 102 CO 0.54 -0.90 0.00 0.61 -1.51 0.00 0.00 177.10 175.84 1pi4 n GLY 103 N 4.00 0.89 3.60 0.66 0.00 -1.26 -5.00 105.19 108.08 1pi4 n GLY 103 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1pi4 n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pi4 s ILE 104 N -2.34 4.98 0.44 -0.61 1.01 -0.75 -4.89 121.20 119.05 1pi4 s ILE 104 Ca 0.00 0.81 0.08 0.00 0.00 0.00 0.00 60.65 61.54 1pi4 s ILE 104 Cb 0.00 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.53 1pi4 s ILE 104 CO 0.00 -0.08 0.51 0.42 0.00 0.00 0.00 174.94 175.79 1pi4 s THR 105 N 2.50 2.69 0.36 2.92 -4.23 -1.26 -1.29 115.64 117.33 1pi4 s THR 105 Ca 0.23 -1.16 0.04 0.00 -1.18 0.00 0.00 61.69 59.62 1pi4 s THR 105 Cb -0.15 -2.85 0.27 0.00 1.34 0.00 0.00 72.50 71.11 1pi4 s THR 105 CO 0.11 0.00 2.00 -0.07 -0.54 0.00 0.00 174.62 176.12 1pi4 h LEU 106 N 0.75 0.66 -0.52 4.79 3.38 -1.22 -1.24 115.31 121.91 1pi4 h LEU 106 Ca -0.39 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.62 1pi4 h LEU 106 Cb 1.28 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 1pi4 h LEU 106 CO 0.50 0.47 0.26 0.25 0.09 0.00 0.00 178.44 180.01 1pi4 h LEU 107 N 0.78 0.37 -0.69 1.67 5.85 -1.32 -0.27 115.31 121.69 1pi4 h LEU 107 Ca 0.25 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 1pi4 h LEU 107 Cb 0.03 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1pi4 h LEU 107 CO -0.06 0.25 0.34 0.45 -0.34 0.00 0.00 178.44 179.07 1pi4 h HIS 108 N 0.50 1.00 -0.48 1.25 3.86 -1.52 -1.85 115.15 117.91 1pi4 h HIS 108 Ca 0.23 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 1pi4 h HIS 108 Cb 0.15 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 1pi4 h HIS 108 CO -0.11 0.74 0.23 -0.07 0.86 0.00 0.00 177.93 179.58 1pi4 h LEU 109 N 0.97 0.63 -1.63 2.43 3.38 -0.95 -1.16 115.31 118.97 1pi4 h LEU 109 Ca 0.24 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1pi4 h LEU 109 Cb 0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1pi4 h LEU 109 CO -0.03 0.58 -0.10 0.00 0.09 0.00 0.00 178.44 178.98 1pi4 h ALA 110 N 1.07 1.08 -0.10 1.53 0.00 -0.65 -2.75 119.26 119.44 1pi4 h ALA 110 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1pi4 h ALA 110 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1pi4 h ALA 110 CO -0.02 0.13 0.00 0.25 0.00 0.00 0.00 179.25 179.61 1pi4 n THR 111 N -3.33 1.34 -2.23 0.00 -2.24 -0.73 -4.44 114.28 102.65 1pi4 n THR 111 Ca -0.01 -1.37 -0.15 0.00 -2.27 0.00 0.00 64.05 60.25 1pi4 n THR 111 Cb 0.30 0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.78 1pi4 n THR 111 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1pi4 n TYR 112 N -0.49 -0.68 -1.11 4.78 4.02 -0.81 -4.84 117.16 118.03 1pi4 n TYR 112 Ca 0.08 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.06 1pi4 n TYR 112 Cb 0.44 -3.15 0.19 0.00 -0.02 0.00 0.00 39.34 36.80 1pi4 n TYR 112 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1pi4 n THR 113 N -3.91 2.08 0.48 -0.72 -2.24 -0.50 -1.53 114.28 107.94 1pi4 n THR 113 Ca -0.18 -2.26 0.11 0.00 -2.27 0.00 0.00 64.05 59.46 1pi4 n THR 113 Cb 0.63 -0.25 0.45 0.00 -2.10 0.00 0.00 70.33 69.06 1pi4 n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pi4 n ALA 114 N -1.11 1.79 0.00 6.98 0.00 -1.21 -0.43 120.51 126.52 1pi4 n ALA 114 Ca 0.19 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1pi4 n ALA 114 Cb 0.75 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1pi4 n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pi4 n GLY 115 N 0.27 1.93 0.50 0.00 0.00 -1.26 -4.22 105.19 102.41 1pi4 n GLY 115 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1pi4 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pi4 n GLY 116 N -0.05 1.22 3.67 -0.02 0.00 -1.26 -1.90 105.19 106.85 1pi4 n GLY 116 Ca 0.00 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 1pi4 n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pi4 n LEU 117 N -0.08 4.49 -4.77 0.99 4.77 -1.26 -4.76 117.00 116.38 1pi4 n LEU 117 Ca 0.00 0.89 -0.40 0.00 -0.03 0.00 0.00 56.01 56.47 1pi4 n LEU 117 Cb 0.15 -1.47 0.01 0.00 -2.33 0.00 0.00 43.42 39.78 1pi4 n LEU 117 CO 0.00 -1.29 1.10 -2.84 -1.33 0.00 0.00 177.39 173.03 1pi4 s PRO 118 N -2.80 3.82 0.26 3.23 0.02 -1.26 -4.78 135.00 133.49 1pi4 s PRO 118 Ca 0.74 2.50 -0.01 0.00 0.02 0.00 0.00 61.00 64.25 1pi4 s PRO 118 Cb -0.43 -2.76 0.51 0.00 0.02 0.00 0.00 34.50 31.84 1pi4 s PRO 118 CO 0.48 -0.74 1.80 1.25 -0.33 0.00 0.00 177.00 179.46 1pi4 h LEU 119 N 2.55 0.69 -8.64 -5.54 5.85 -1.92 -3.24 115.31 105.05 1pi4 h LEU 119 Ca -0.51 0.07 -0.56 0.00 0.84 0.00 0.00 57.88 57.71 1pi4 h LEU 119 Cb 1.26 -0.06 -0.23 0.00 0.37 0.00 0.00 40.66 42.00 1pi4 h LEU 119 CO 0.62 0.34 -0.83 -1.10 -0.34 0.00 0.00 178.44 177.13 1pi4 s GLN 120 N -5.98 1.19 0.05 1.25 -0.21 -1.26 -0.33 119.66 114.37 1pi4 s GLN 120 Ca -0.12 -1.11 -0.29 0.00 0.02 0.00 0.00 55.36 53.86 1pi4 s GLN 120 Cb 0.21 -1.42 -0.04 0.00 1.00 0.00 0.00 33.01 32.76 1pi4 s GLN 120 CO 0.79 0.34 0.94 0.08 -2.12 0.00 0.00 175.29 175.31 1pi4 s VAL 121 N -1.07 4.72 0.57 1.09 1.01 -1.26 -4.83 120.40 120.63 1pi4 s VAL 121 Ca 0.07 1.99 -0.21 0.00 0.00 0.00 0.00 61.98 63.83 1pi4 s VAL 121 Cb -0.10 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1pi4 s VAL 121 CO 0.04 0.25 1.30 -2.65 0.00 0.00 0.00 175.10 174.04 1pi4 n PRO 122 N 3.34 1.47 0.25 2.72 -0.02 -1.26 -4.88 135.00 136.61 1pi4 n PRO 122 Ca 0.03 0.55 0.09 0.00 -2.02 0.00 0.00 63.50 62.15 1pi4 n PRO 122 Cb 0.50 -2.52 0.66 0.00 -0.02 0.00 0.00 33.50 32.12 1pi4 n PRO 122 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1pi4 h ASP 123 N 1.13 0.00 0.50 2.55 3.45 -2.01 -1.64 116.42 120.40 1pi4 h ASP 123 Ca -0.50 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.96 1pi4 h ASP 123 Cb 1.32 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.09 1pi4 h ASP 123 CO 0.55 0.00 0.00 -1.84 -1.57 0.00 0.00 179.24 176.38 1pi4 n GLU 124 N -4.49 0.02 -2.72 3.56 0.00 -1.26 -4.56 120.64 111.19 1pi4 n GLU 124 Ca -0.02 0.28 -0.43 0.00 0.00 0.00 0.00 57.16 56.99 1pi4 n GLU 124 Cb 0.12 -1.54 -0.03 0.00 0.00 0.00 0.00 31.44 29.99 1pi4 n GLU 124 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1pi4 s VAL 125 N -3.03 4.37 0.00 3.84 1.01 -0.62 -4.83 120.40 121.14 1pi4 s VAL 125 Ca 0.06 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.06 1pi4 s VAL 125 Cb 0.09 -4.50 0.00 0.00 0.00 0.00 0.00 36.38 31.97 1pi4 s VAL 125 CO 0.27 -0.87 0.00 0.29 0.00 0.00 0.00 175.10 174.78 1pi4 n LYS 126 N 7.41 2.87 -4.60 2.72 5.02 -1.26 -4.28 118.16 126.04 1pi4 n LYS 126 Ca 0.09 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.10 1pi4 n LYS 126 Cb 0.49 -0.67 -0.11 0.00 -0.02 0.00 0.00 35.03 34.72 1pi4 n LYS 126 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1pi4 s SER 127 N -1.14 3.64 0.26 4.39 1.04 -1.26 -5.00 113.70 115.62 1pi4 s SER 127 Ca 0.00 -1.40 -0.05 0.00 0.48 0.00 0.00 55.95 54.98 1pi4 s SER 127 Cb 0.00 -0.25 0.29 0.00 0.10 0.00 0.00 66.02 66.16 1pi4 s SER 127 CO 0.00 -0.52 1.90 0.77 0.98 0.00 0.00 173.24 176.37 1pi4 h SER 128 N 1.79 1.07 -0.71 7.02 4.64 -2.00 -1.70 113.55 123.67 1pi4 h SER 128 Ca -0.43 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 60.76 1pi4 h SER 128 Cb 1.25 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 63.04 1pi4 h SER 128 CO 0.78 0.83 0.24 0.77 -0.87 0.00 0.00 176.83 178.58 1pi4 h SER 129 N 1.22 1.01 -0.77 4.97 4.64 -2.00 -2.11 113.55 120.51 1pi4 h SER 129 Ca 0.32 -0.20 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 1pi4 h SER 129 Cb -0.03 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 61.76 1pi4 h SER 129 CO -0.06 0.94 0.38 0.44 -0.87 0.00 0.00 176.83 177.66 1pi4 h ASP 130 N 1.03 1.00 -0.22 4.97 3.45 -1.76 -1.84 116.42 123.04 1pi4 h ASP 130 Ca 0.23 -0.11 -0.05 0.00 0.43 0.00 0.00 57.03 57.53 1pi4 h ASP 130 Cb 0.27 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.78 1pi4 h ASP 130 CO -0.01 0.85 -0.06 0.25 -1.57 0.00 0.00 179.24 178.69 1pi4 h LEU 131 N 1.10 0.44 -0.66 1.55 5.85 -1.05 -0.89 115.31 121.65 1pi4 h LEU 131 Ca 0.27 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1pi4 h LEU 131 Cb 0.10 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1pi4 h LEU 131 CO -0.04 0.71 0.42 0.25 -0.34 0.00 0.00 178.44 179.44 1pi4 h LEU 132 N 0.16 0.69 -0.88 2.25 5.85 -1.26 -1.79 115.31 120.35 1pi4 h LEU 132 Ca 0.06 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1pi4 h LEU 132 Cb 0.52 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1pi4 h LEU 132 CO 0.02 0.49 0.56 -0.09 -0.34 0.00 0.00 178.44 179.08 1pi4 h ARG 133 N 0.83 1.17 -0.08 1.25 2.43 -1.14 0.60 114.38 119.44 1pi4 h ARG 133 Ca 0.26 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1pi4 h ARG 133 Cb -0.00 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.29 1pi4 h ARG 133 CO -0.10 0.80 0.05 0.35 -1.51 0.00 0.00 179.97 179.57 1pi4 h PHE 134 N 1.20 0.10 -0.10 2.20 3.57 -0.67 -0.84 116.94 122.40 1pi4 h PHE 134 Ca 0.32 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.67 1pi4 h PHE 134 Cb -0.10 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1pi4 h PHE 134 CO -0.01 0.07 -0.61 1.88 -2.23 0.00 0.00 178.31 177.41 1pi4 h TYR 135 N 0.11 0.44 -0.32 0.41 0.05 -0.99 -2.23 116.97 114.44 1pi4 h TYR 135 Ca 0.03 -0.17 -0.08 0.00 0.05 0.00 0.00 58.73 58.56 1pi4 h TYR 135 Cb -0.01 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.64 1pi4 h TYR 135 CO -0.07 0.86 -0.13 1.96 -1.05 0.00 0.00 178.16 179.73 1pi4 h GLN 136 N 0.25 0.56 0.00 4.88 1.08 -0.75 -3.11 115.11 118.02 1pi4 h GLN 136 Ca -0.01 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1pi4 h GLN 136 Cb 1.13 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 1pi4 h GLN 136 CO 0.10 0.68 -0.50 0.09 -0.95 0.00 0.00 178.83 178.24 1pi4 n ASN 137 N -4.19 0.60 -4.73 1.46 5.03 -0.33 -4.86 115.26 108.24 1pi4 n ASN 137 Ca 0.01 0.09 -0.42 0.00 0.87 0.00 0.00 54.58 55.13 1pi4 n ASN 137 Cb 0.34 0.07 -0.03 0.00 -1.02 0.00 0.00 39.78 39.14 1pi4 n ASN 137 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 1pi4 s TRP 138 N -3.11 2.98 -0.27 3.10 -0.00 -0.85 -5.00 118.94 115.80 1pi4 s TRP 138 Ca 0.08 0.77 -0.04 0.00 -0.00 0.00 0.00 56.10 56.92 1pi4 s TRP 138 Cb 0.15 -3.93 0.02 0.00 -0.00 0.00 0.00 33.47 29.71 1pi4 s TRP 138 CO 0.69 -3.25 0.00 -0.65 -0.00 0.00 0.00 176.95 173.75 1pi4 s GLN 139 N 0.33 2.94 0.45 5.86 -1.52 -1.26 -4.99 119.66 121.47 1pi4 s GLN 139 Ca 0.65 -0.93 -0.24 0.00 -1.95 0.00 0.00 55.36 52.90 1pi4 s GLN 139 Cb -0.44 -3.17 -0.07 0.00 -0.22 0.00 0.00 33.01 29.11 1pi4 s GLN 139 CO 0.38 -0.42 1.23 -1.25 -0.25 0.00 0.00 175.29 174.98 1pi4 s PRO 140 N 1.40 3.75 0.21 2.91 0.04 -1.26 -4.92 135.00 137.13 1pi4 s PRO 140 Ca 0.01 1.96 0.17 0.00 0.04 0.00 0.00 61.00 63.18 1pi4 s PRO 140 Cb -0.17 -2.52 0.01 0.00 0.04 0.00 0.00 34.50 31.87 1pi4 s PRO 140 CO -0.01 -0.61 1.22 0.00 0.04 0.00 0.00 177.00 177.63 1pi4 h ALA 141 N 2.21 0.67 -2.25 8.56 0.00 -1.68 -3.48 119.26 123.29 1pi4 h ALA 141 Ca -0.50 -0.50 -0.25 0.00 0.00 0.00 0.00 54.91 53.67 1pi4 h ALA 141 Cb 1.25 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.95 1pi4 h ALA 141 CO 0.61 0.61 -0.69 -1.58 0.00 0.00 0.00 179.25 178.20 1pi4 s TRP 142 N -3.01 1.01 0.80 0.00 0.51 -1.18 -5.08 118.94 111.98 1pi4 s TRP 142 Ca 0.02 -0.95 -0.11 0.00 -2.12 0.00 0.00 56.10 52.94 1pi4 s TRP 142 Cb 0.08 -0.57 0.07 0.00 -0.81 0.00 0.00 33.47 32.24 1pi4 s TRP 142 CO 0.77 -0.17 1.10 0.00 -0.51 0.00 0.00 176.95 178.14 1pi4 s ALA 143 N -3.63 2.12 0.27 0.98 0.00 -1.26 -4.43 121.76 115.80 1pi4 s ALA 143 Ca 0.16 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 52.16 1pi4 s ALA 143 Cb 0.05 -3.31 -0.11 0.00 0.00 0.00 0.00 23.12 19.76 1pi4 s ALA 143 CO -0.02 -1.94 1.49 -2.14 0.00 0.00 0.00 175.76 173.16 1pi4 s PRO 144 N -4.83 4.22 -0.28 0.00 0.02 -1.26 -3.42 135.00 129.45 1pi4 s PRO 144 Ca 0.62 2.40 0.00 0.00 0.02 0.00 0.00 61.00 64.04 1pi4 s PRO 144 Cb -0.18 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1pi4 s PRO 144 CO 0.56 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 177.15 1pi4 n GLY 145 N 2.14 0.40 0.02 0.52 0.00 0.42 -4.94 105.19 103.75 1pi4 n GLY 145 Ca 0.07 -0.84 -0.02 0.00 0.00 0.00 0.00 46.02 45.23 1pi4 n GLY 145 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pi4 n THR 146 N -3.55 0.20 -4.01 2.61 -2.24 -1.22 -4.87 114.28 101.21 1pi4 n THR 146 Ca -0.03 -0.09 -0.11 0.00 -2.27 0.00 0.00 64.05 61.54 1pi4 n THR 146 Cb 0.35 -0.74 -0.12 0.00 -2.10 0.00 0.00 70.33 67.72 1pi4 n THR 146 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1pi4 s GLN 147 N -2.07 0.35 -0.18 -0.78 -0.21 -1.26 -1.50 119.66 114.01 1pi4 s GLN 147 Ca -0.03 -0.56 -0.11 0.00 0.02 0.00 0.00 55.36 54.67 1pi4 s GLN 147 Cb 0.01 -0.06 -0.05 0.00 1.00 0.00 0.00 33.01 33.91 1pi4 s GLN 147 CO 0.09 -0.00 0.18 0.50 -2.12 0.00 0.00 175.29 173.94 1pi4 s ARG 148 N -1.25 4.13 -0.23 2.91 3.52 0.47 -4.30 118.95 124.19 1pi4 s ARG 148 Ca -0.11 -0.11 -0.05 0.00 -0.13 0.00 0.00 55.73 55.33 1pi4 s ARG 148 Cb -0.08 -3.39 0.08 0.00 -1.56 0.00 0.00 34.95 29.99 1pi4 s ARG 148 CO -0.00 0.34 0.11 -1.17 -0.81 0.00 0.00 175.30 173.77 1pi4 s LEU 149 N 0.22 0.42 0.19 -0.88 2.96 -0.58 -1.89 118.68 119.12 1pi4 s LEU 149 Ca 0.11 -0.91 -0.32 0.00 -0.22 0.00 0.00 54.13 52.78 1pi4 s LEU 149 Cb -0.12 -0.28 -0.15 0.00 0.50 0.00 0.00 46.19 46.14 1pi4 s LEU 149 CO 0.00 -0.39 1.30 0.00 -1.32 0.00 0.00 176.35 175.94 1pi4 n TYR 150 N 5.27 1.71 -3.64 5.38 4.19 -1.26 -4.79 117.16 124.02 1pi4 n TYR 150 Ca -0.07 0.55 -0.08 0.00 3.31 0.00 0.00 57.90 61.62 1pi4 n TYR 150 Cb 0.46 -2.37 -0.07 0.00 0.49 0.00 0.00 39.34 37.85 1pi4 n TYR 150 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1pi4 s ALA 151 N -0.03 -1.91 0.29 2.98 0.00 -1.26 -4.48 121.76 117.35 1pi4 s ALA 151 Ca 0.72 2.32 0.02 0.00 0.00 0.00 0.00 51.96 55.03 1pi4 s ALA 151 Cb -0.77 -1.42 0.44 0.00 0.00 0.00 0.00 23.12 21.37 1pi4 s ALA 151 CO 0.50 -0.37 1.76 -0.91 0.00 0.00 0.00 175.76 176.75 1pi4 h ASN 152 N 6.49 0.54 0.78 0.00 2.35 -0.82 -2.74 115.58 122.18 1pi4 h ASN 152 Ca -0.30 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1pi4 h ASN 152 Cb 1.21 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.44 1pi4 h ASN 152 CO 0.14 0.71 0.00 0.77 -1.65 0.00 0.00 177.43 177.41 1pi4 h SER 153 N 0.51 0.00 0.00 5.81 4.64 -1.68 0.32 113.55 123.15 1pi4 h SER 153 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1pi4 h SER 153 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1pi4 h SER 153 CO 0.03 0.00 -0.23 -1.28 -0.87 0.00 0.00 176.83 174.48 1pi4 h SER 154 N 0.00 0.00 0.69 4.97 0.87 -1.74 -3.23 113.55 115.11 1pi4 h SER 154 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1pi4 h SER 154 Cb 0.39 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1pi4 h SER 154 CO 0.00 0.43 -0.31 -0.29 -0.53 0.00 0.00 176.83 176.13 1pi4 h ILE 155 N -0.63 0.84 -0.34 2.23 2.10 -1.43 -1.72 117.51 118.57 1pi4 h ILE 155 Ca 0.00 -1.25 -0.02 0.00 1.08 0.00 0.00 64.86 64.67 1pi4 h ILE 155 Cb 0.23 1.76 -0.02 0.00 -1.09 0.00 0.00 36.82 37.71 1pi4 h ILE 155 CO 0.00 0.30 0.15 1.23 -1.08 0.00 0.00 178.15 178.75 1pi4 h GLY 156 N 1.69 0.53 1.05 8.18 0.00 -1.12 -0.57 103.07 112.84 1pi4 h GLY 156 Ca -0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 1pi4 h GLY 156 CO 0.04 0.26 0.11 -2.00 0.00 0.00 0.00 176.54 174.95 1pi4 h LEU 157 N 0.40 0.99 -0.44 3.11 5.85 -1.46 -2.09 115.31 121.67 1pi4 h LEU 157 Ca 0.11 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 58.65 1pi4 h LEU 157 Cb 0.15 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 1pi4 h LEU 157 CO -0.01 1.00 0.06 0.15 -0.34 0.00 0.00 178.44 179.30 1pi4 h PHE 158 N 0.95 0.08 -0.62 1.25 3.57 -0.98 -0.67 116.94 120.52 1pi4 h PHE 158 Ca 0.19 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.74 1pi4 h PHE 158 Cb 0.43 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 1pi4 h PHE 158 CO 0.03 -0.03 0.39 0.78 -2.23 0.00 0.00 178.31 177.25 1pi4 h GLY 159 N 0.18 0.89 1.19 2.40 0.00 -0.75 0.59 103.07 107.56 1pi4 h GLY 159 Ca 0.22 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 1pi4 h GLY 159 CO -0.31 0.26 0.10 0.00 0.00 0.00 0.00 176.54 176.59 1pi4 h ALA 160 N 1.26 1.02 0.03 3.60 0.00 -0.92 -3.02 119.26 121.23 1pi4 h ALA 160 Ca 0.24 -0.26 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 1pi4 h ALA 160 Cb -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1pi4 h ALA 160 CO -0.09 0.63 -0.99 -0.07 0.00 0.00 0.00 179.25 178.73 1pi4 h LEU 161 N 0.94 0.23 -1.80 0.00 3.38 -0.87 -3.28 115.31 113.90 1pi4 h LEU 161 Ca 0.19 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1pi4 h LEU 161 Cb 0.41 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1pi4 h LEU 161 CO 0.01 1.08 -0.13 0.00 0.09 0.00 0.00 178.44 179.49 1pi4 h ALA 162 N 0.89 1.66 -0.02 1.53 0.00 -0.76 -1.90 119.26 120.67 1pi4 h ALA 162 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1pi4 h ALA 162 Cb 1.68 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1pi4 h ALA 162 CO 0.15 0.17 -0.09 1.33 0.00 0.00 0.00 179.25 180.80 1pi4 n VAL 163 N -4.21 0.00 -0.07 0.00 0.24 -1.19 -4.49 118.33 108.61 1pi4 n VAL 163 Ca -0.02 -0.26 -0.10 0.00 -2.04 0.00 0.00 64.34 61.92 1pi4 n VAL 163 Cb 0.21 0.68 -0.03 0.00 -1.47 0.00 0.00 33.84 33.23 1pi4 n VAL 163 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1pi4 h LYS 164 N 2.45 0.33 -0.12 7.34 1.57 -1.43 -2.56 116.57 124.16 1pi4 h LYS 164 Ca 0.00 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1pi4 h LYS 164 Cb 0.60 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1pi4 h LYS 164 CO 0.00 0.30 0.10 -1.35 -0.57 0.00 0.00 179.45 177.93 1pi4 h PRO 165 N 0.28 0.00 0.00 3.15 0.11 -1.79 -2.14 132.00 131.61 1pi4 h PRO 165 Ca 0.08 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 1pi4 h PRO 165 Cb 0.06 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.17 1pi4 h PRO 165 CO -0.01 0.00 -0.16 0.66 -0.21 0.00 0.00 178.00 178.28 1pi4 h SER 166 N 0.00 0.00 0.00 -2.05 4.64 -1.75 -3.46 113.55 110.93 1pi4 h SER 166 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1pi4 h SER 166 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1pi4 h SER 166 CO -0.00 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 1pi4 n GLY 167 N -0.62 0.71 3.83 -0.77 0.00 -0.81 -5.03 105.19 102.50 1pi4 n GLY 167 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 1pi4 n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pi4 s LEU 168 N 0.00 3.84 0.75 0.99 1.43 -1.26 -5.11 118.68 119.33 1pi4 s LEU 168 Ca 0.00 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 1pi4 s LEU 168 Cb 0.00 -2.39 0.04 0.00 0.03 0.00 0.00 46.19 43.87 1pi4 s LEU 168 CO 0.00 -0.01 1.08 -0.94 0.23 0.00 0.00 176.35 176.71 1pi4 s SER 169 N -3.67 4.77 0.21 2.29 1.04 -1.26 -4.76 113.70 112.32 1pi4 s SER 169 Ca 0.32 1.70 -0.09 0.00 0.48 0.00 0.00 55.95 58.37 1pi4 s SER 169 Cb -0.08 -2.47 0.25 0.00 0.10 0.00 0.00 66.02 63.81 1pi4 s SER 169 CO 0.25 -1.84 1.80 0.15 0.98 0.00 0.00 173.24 174.58 1pi4 h PHE 170 N -1.00 0.67 -0.48 5.02 3.57 -1.93 0.04 116.94 122.83 1pi4 h PHE 170 Ca -0.44 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.06 1pi4 h PHE 170 Cb 1.23 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 1pi4 h PHE 170 CO 0.58 0.31 0.22 1.49 -2.23 0.00 0.00 178.31 178.68 1pi4 h GLU 171 N 0.67 0.69 -0.60 1.11 4.81 -1.99 -0.13 114.58 119.14 1pi4 h GLU 171 Ca 0.30 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 1pi4 h GLU 171 Cb 0.20 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1pi4 h GLU 171 CO -0.19 0.59 0.18 1.96 -0.73 0.00 0.00 179.01 180.81 1pi4 h GLN 172 N 0.63 0.93 -0.33 1.92 1.08 -1.82 -0.40 115.11 117.12 1pi4 h GLN 172 Ca 0.16 -0.21 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 1pi4 h GLN 172 Cb 0.13 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1pi4 h GLN 172 CO -0.02 0.84 0.14 0.00 -0.95 0.00 0.00 178.83 178.84 1pi4 h ALA 173 N 1.05 0.42 -0.58 3.87 0.00 -0.79 -0.25 119.26 122.99 1pi4 h ALA 173 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1pi4 h ALA 173 Cb 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1pi4 h ALA 173 CO -0.00 0.02 0.37 1.98 0.00 0.00 0.00 179.25 181.61 1pi4 h MET 174 N 0.38 0.78 0.07 0.00 1.85 -0.78 0.55 114.93 117.79 1pi4 h MET 174 Ca 0.11 -0.06 -0.00 0.00 -0.61 0.00 0.00 59.70 59.14 1pi4 h MET 174 Cb 0.17 -0.17 0.00 0.00 0.43 0.00 0.00 31.60 32.03 1pi4 h MET 174 CO -0.01 0.54 -0.03 1.96 -0.40 0.00 0.00 176.91 178.97 1pi4 h GLN 175 N 0.79 -0.09 -0.42 0.39 4.20 -0.87 -0.56 115.11 118.55 1pi4 h GLN 175 Ca 0.21 0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.82 1pi4 h GLN 175 Cb -0.05 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1pi4 h GLN 175 CO -0.04 0.10 -0.17 1.15 -0.67 0.00 0.00 178.83 179.20 1pi4 h THR 176 N -0.27 1.28 0.00 -0.54 2.02 -0.97 -0.16 112.91 114.27 1pi4 h THR 176 Ca -0.01 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 65.87 1pi4 h THR 176 Cb 0.23 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1pi4 h THR 176 CO 0.02 0.44 -1.42 0.54 0.37 0.00 0.00 175.52 175.47 1pi4 n ARG 177 N -4.24 0.47 0.06 6.66 1.74 0.18 -4.34 116.66 117.19 1pi4 n ARG 177 Ca -0.01 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1pi4 n ARG 177 Cb 0.41 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1pi4 n ARG 177 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1pi4 n VAL 178 N -2.17 0.70 0.01 1.55 0.31 -0.45 -4.75 118.33 113.53 1pi4 n VAL 178 Ca -0.01 0.23 -0.12 0.00 -0.01 0.00 0.00 64.34 64.44 1pi4 n VAL 178 Cb 0.50 -1.26 -0.07 0.00 -0.91 0.00 0.00 33.84 32.10 1pi4 n VAL 178 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1pi4 h PHE 179 N 0.00 0.05 -0.14 3.52 0.04 -1.16 -2.85 116.94 116.40 1pi4 h PHE 179 Ca 0.00 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1pi4 h PHE 179 Cb 0.14 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1pi4 h PHE 179 CO 0.00 0.16 0.04 1.96 -0.60 0.00 0.00 178.31 179.86 1pi4 h GLN 180 N -0.07 0.23 -0.45 1.51 4.20 -1.25 0.34 115.11 119.61 1pi4 h GLN 180 Ca 0.01 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1pi4 h GLN 180 Cb 0.13 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1pi4 h GLN 180 CO -0.00 0.38 0.29 -1.35 -0.67 0.00 0.00 178.83 177.48 1pi4 h PRO 181 N 0.03 0.60 -0.11 1.46 0.11 -1.75 -1.15 132.00 131.19 1pi4 h PRO 181 Ca 0.04 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1pi4 h PRO 181 Cb 0.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1pi4 h PRO 181 CO 0.00 0.41 0.00 1.28 -0.21 0.00 0.00 178.00 179.48 1pi4 n LEU 182 N -4.46 1.43 -3.24 2.35 4.77 -1.08 -4.93 117.00 111.86 1pi4 n LEU 182 Ca 0.04 -0.57 -0.22 0.00 -0.03 0.00 0.00 56.01 55.22 1pi4 n LEU 182 Cb 0.06 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1pi4 n LEU 182 CO 0.36 0.28 0.14 0.29 -1.33 0.00 0.00 177.39 177.13 1pi4 n LYS 183 N 0.15 -6.49 -3.02 3.23 5.02 -0.44 -4.91 118.16 111.71 1pi4 n LYS 183 Ca 0.17 0.83 -0.44 0.00 -2.02 0.00 0.00 58.31 56.84 1pi4 n LYS 183 Cb 0.31 -5.71 0.00 0.00 -0.02 0.00 0.00 35.03 29.61 1pi4 n LYS 183 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1pi4 n LEU 184 N -4.44 5.30 -0.37 -0.35 4.77 0.02 -4.80 117.00 117.13 1pi4 n LEU 184 Ca -0.04 -4.57 0.14 0.00 -0.03 0.00 0.00 56.01 51.51 1pi4 n LEU 184 Cb 0.58 -1.59 0.62 0.00 -2.33 0.00 0.00 43.42 40.70 1pi4 n LEU 184 CO 0.55 0.85 0.92 0.59 -1.33 0.00 0.00 177.39 178.98 1pi4 n ASN 185 N 5.05 1.15 -2.54 -1.43 3.02 -1.26 -3.62 115.26 115.62 1pi4 n ASN 185 Ca 0.34 -1.39 -0.12 0.00 -0.03 0.00 0.00 54.58 53.39 1pi4 n ASN 185 Cb 0.42 -0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.62 1pi4 n ASN 185 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1pi4 n HIS 186 N -0.10 1.91 -4.91 3.10 8.25 -1.26 -5.03 115.22 117.18 1pi4 n HIS 186 Ca 0.20 -2.41 -0.28 0.00 -0.26 0.00 0.00 57.72 54.97 1pi4 n HIS 186 Cb 0.30 -0.27 -0.17 0.00 1.12 0.00 0.00 29.99 30.97 1pi4 n HIS 186 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1pi4 s THR 187 N -4.11 1.60 -0.01 1.59 2.01 -1.24 -3.49 115.64 111.99 1pi4 s THR 187 Ca 0.36 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.56 1pi4 s THR 187 Cb 0.38 -1.40 0.00 0.00 0.01 0.00 0.00 72.50 71.49 1pi4 s THR 187 CO -0.02 0.46 0.08 0.26 -0.69 0.00 0.00 174.62 174.71 1pi4 s TRP 188 N 0.43 0.01 -0.07 4.92 0.52 0.02 -4.98 118.94 119.78 1pi4 s TRP 188 Ca -0.15 -0.00 0.04 0.00 0.02 0.00 0.00 56.10 56.01 1pi4 s TRP 188 Cb -0.16 -0.03 -0.25 0.00 -1.15 0.00 0.00 33.47 31.88 1pi4 s TRP 188 CO 0.06 -0.14 0.56 0.82 0.02 0.00 0.00 176.95 178.26 1pi4 h ILE 189 N 4.73 0.78 -3.19 2.03 2.04 -1.86 0.15 117.51 122.18 1pi4 h ILE 189 Ca -0.28 -2.56 -0.59 0.00 1.00 0.00 0.00 64.86 62.43 1pi4 h ILE 189 Cb 1.20 2.48 -0.36 0.00 -0.74 0.00 0.00 36.82 39.40 1pi4 h ILE 189 CO 0.43 0.68 -0.82 0.20 0.00 0.00 0.00 178.15 178.63 1pi4 s ASN 190 N -6.54 2.77 -0.11 1.72 -0.87 -1.26 -4.77 114.94 105.89 1pi4 s ASN 190 Ca -0.12 -0.55 -0.29 0.00 -1.57 0.00 0.00 52.86 50.32 1pi4 s ASN 190 Cb 0.07 -1.14 -0.04 0.00 -0.02 0.00 0.00 41.25 40.13 1pi4 s ASN 190 CO 0.80 -0.09 1.49 -0.69 -2.57 0.00 0.00 177.10 176.05 1pi4 s VAL 191 N 1.50 3.87 0.64 1.60 1.01 -1.26 -4.99 120.40 122.77 1pi4 s VAL 191 Ca 0.04 1.05 -0.16 0.00 0.00 0.00 0.00 61.98 62.91 1pi4 s VAL 191 Cb -0.14 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 1pi4 s VAL 191 CO -0.10 -0.11 1.12 -2.84 0.00 0.00 0.00 175.10 173.18 1pi4 s PRO 192 N 3.85 2.89 0.39 2.72 0.02 -1.26 -4.91 135.00 138.70 1pi4 s PRO 192 Ca 0.66 1.45 0.12 0.00 0.02 0.00 0.00 61.00 63.25 1pi4 s PRO 192 Cb -0.28 -1.96 0.93 0.00 0.02 0.00 0.00 34.50 33.21 1pi4 s PRO 192 CO 0.23 -1.19 1.88 -1.35 -0.33 0.00 0.00 177.00 176.25 1pi4 h PRO 193 N 0.26 0.55 0.00 5.54 0.11 -2.02 0.38 132.00 136.82 1pi4 h PRO 193 Ca -0.47 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 1pi4 h PRO 193 Cb 1.25 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1pi4 h PRO 193 CO 0.54 0.36 -0.02 0.00 -0.21 0.00 0.00 178.00 178.68 1pi4 h ALA 194 N 1.62 1.10 -0.03 -0.75 0.00 -2.03 -2.47 119.26 116.71 1pi4 h ALA 194 Ca 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1pi4 h ALA 194 Cb 0.82 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1pi4 h ALA 194 CO -0.18 0.02 -0.04 0.39 0.00 0.00 0.00 179.25 179.45 1pi4 n GLU 195 N -3.25 1.92 0.14 0.00 -0.58 0.11 -4.51 120.64 114.47 1pi4 n GLU 195 Ca -0.02 -1.70 0.08 0.00 -0.42 0.00 0.00 57.16 55.10 1pi4 n GLU 195 Cb 0.14 -1.41 0.57 0.00 -0.57 0.00 0.00 31.44 30.17 1pi4 n GLU 195 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1pi4 h GLU 196 N 4.02 0.18 -0.05 3.49 5.08 -1.30 -0.60 114.58 125.40 1pi4 h GLU 196 Ca 0.00 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1pi4 h GLU 196 Cb 0.87 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1pi4 h GLU 196 CO 0.00 0.12 0.07 1.57 -1.00 0.00 0.00 179.01 179.77 1pi4 h LYS 197 N 0.18 0.00 -0.02 2.33 2.10 -1.80 -1.52 116.57 117.85 1pi4 h LYS 197 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 1pi4 h LYS 197 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1pi4 h LYS 197 CO -0.01 0.00 -0.24 0.09 -2.00 0.00 0.00 179.45 177.29 1pi4 n ASN 198 N -3.67 2.07 -4.53 7.07 4.13 -0.24 -4.91 115.26 115.19 1pi4 n ASN 198 Ca -0.02 -1.55 -0.43 0.00 1.68 0.00 0.00 54.58 54.27 1pi4 n ASN 198 Cb 0.16 0.22 -0.05 0.00 -1.54 0.00 0.00 39.78 38.57 1pi4 n ASN 198 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1pi4 s TYR 199 N -2.28 2.93 0.71 3.10 6.04 -0.57 0.53 117.35 127.81 1pi4 s TYR 199 Ca 0.25 0.04 -0.16 0.00 0.04 0.00 0.00 57.07 57.24 1pi4 s TYR 199 Cb 0.19 -3.81 0.03 0.00 -1.04 0.00 0.00 41.96 37.33 1pi4 s TYR 199 CO 0.45 -1.12 1.24 0.00 -1.54 0.00 0.00 175.55 174.58 1pi4 s ALA 200 N 3.47 2.16 0.19 3.97 0.00 -0.52 -4.93 121.76 126.11 1pi4 s ALA 200 Ca 0.29 1.01 -0.18 0.00 0.00 0.00 0.00 51.96 53.08 1pi4 s ALA 200 Cb -0.13 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.41 1pi4 s ALA 200 CO 0.21 -1.85 0.66 -1.58 0.00 0.00 0.00 175.76 173.20 1pi4 s TRP 201 N -1.78 3.65 0.46 0.00 0.52 -0.04 -4.93 118.94 116.82 1pi4 s TRP 201 Ca 0.77 1.28 -0.07 0.00 0.02 0.00 0.00 56.10 58.11 1pi4 s TRP 201 Cb -0.32 -2.54 -0.05 0.00 -1.15 0.00 0.00 33.47 29.42 1pi4 s TRP 201 CO 0.44 0.38 0.78 0.20 0.02 0.00 0.00 176.95 178.77 1pi4 s GLY 202 N -1.64 1.65 -0.10 0.98 0.00 -0.14 -4.81 107.32 103.26 1pi4 s GLY 202 Ca 0.41 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.73 1pi4 s GLY 202 CO 0.20 -0.23 -0.09 -0.19 0.00 0.00 0.00 173.10 172.79 1pi4 s TYR 203 N -2.63 1.53 -0.11 1.90 1.51 -0.61 -0.28 117.35 118.66 1pi4 s TYR 203 Ca 0.49 -0.73 -0.00 0.00 -1.01 0.00 0.00 57.07 55.81 1pi4 s TYR 203 Cb -0.10 -1.22 0.02 0.00 -0.11 0.00 0.00 41.96 40.55 1pi4 s TYR 203 CO 0.41 -0.47 -0.07 0.50 -1.11 0.00 0.00 175.55 174.81 1pi4 s ARG 204 N 1.42 1.45 -1.42 -0.62 3.52 -0.49 -4.43 118.95 118.38 1pi4 s ARG 204 Ca -0.00 -0.22 -0.07 0.00 -0.13 0.00 0.00 55.73 55.30 1pi4 s ARG 204 Cb -0.13 -1.54 0.04 0.00 -1.56 0.00 0.00 34.95 31.76 1pi4 s ARG 204 CO -0.05 -0.27 0.56 0.39 -0.81 0.00 0.00 175.30 175.12 1pi4 n GLU 205 N 4.96 -4.21 -0.84 5.12 1.02 -1.26 -1.26 120.64 124.16 1pi4 n GLU 205 Ca -0.12 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 1pi4 n GLU 205 Cb 0.50 -5.48 0.00 0.00 -0.02 0.00 0.00 31.44 26.44 1pi4 n GLU 205 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pi4 n GLY 206 N -1.36 1.26 3.87 0.62 0.00 -1.26 -5.02 105.19 103.29 1pi4 n GLY 206 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1pi4 n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pi4 s LYS 207 N -0.03 3.40 -0.00 1.61 1.02 -0.39 -5.05 119.74 120.31 1pi4 s LYS 207 Ca 0.00 -0.16 -0.30 0.00 0.02 0.00 0.00 55.97 55.53 1pi4 s LYS 207 Cb 0.00 -3.16 -0.05 0.00 -0.52 0.00 0.00 37.83 34.10 1pi4 s LYS 207 CO 0.00 0.77 1.31 0.00 -0.92 0.00 0.00 175.35 176.51 1pi4 s ALA 208 N -1.03 3.53 0.01 5.17 0.00 -1.26 -1.40 121.76 126.78 1pi4 s ALA 208 Ca 0.15 0.81 -0.06 0.00 0.00 0.00 0.00 51.96 52.87 1pi4 s ALA 208 Cb -0.12 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 19.45 1pi4 s ALA 208 CO 0.04 -0.78 0.11 0.14 0.00 0.00 0.00 175.76 175.27 1pi4 s VAL 209 N 2.07 0.09 0.17 0.00 -7.23 0.61 -4.94 120.40 111.16 1pi4 s VAL 209 Ca 0.61 -0.72 0.10 0.00 -1.81 0.00 0.00 61.98 60.16 1pi4 s VAL 209 Cb -0.29 -0.40 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 1pi4 s VAL 209 CO 0.26 -0.39 -0.22 -1.00 -0.31 0.00 0.00 175.10 173.43 1pi4 s HIS 210 N -1.38 2.09 0.38 2.82 3.76 -1.26 -0.97 115.29 120.74 1pi4 s HIS 210 Ca -0.15 -0.40 -0.28 0.00 -0.15 0.00 0.00 55.06 54.08 1pi4 s HIS 210 Cb -0.08 -1.07 -0.11 0.00 1.11 0.00 0.00 32.58 32.44 1pi4 s HIS 210 CO 0.01 0.39 1.49 0.54 -0.85 0.00 0.00 174.74 176.32 1pi4 s VAL 211 N -1.63 2.03 0.28 -0.90 0.11 -1.26 -5.00 120.40 114.03 1pi4 s VAL 211 Ca 0.17 0.03 -0.00 0.00 -2.93 0.00 0.00 61.98 59.25 1pi4 s VAL 211 Cb -0.08 -3.02 -0.04 0.00 -1.53 0.00 0.00 36.38 31.71 1pi4 s VAL 211 CO 0.08 0.01 0.48 -0.94 -3.33 0.00 0.00 175.10 171.39 1pi4 s SER 212 N -0.14 6.35 0.52 3.54 1.04 -1.26 -5.06 113.70 118.70 1pi4 s SER 212 Ca 0.53 0.44 -0.23 0.00 0.48 0.00 0.00 55.95 57.17 1pi4 s SER 212 Cb -0.47 -2.02 -0.06 0.00 0.10 0.00 0.00 66.02 63.57 1pi4 s SER 212 CO 0.63 -0.17 1.36 -2.84 0.98 0.00 0.00 173.24 173.21 1pi4 s PRO 213 N -3.81 3.31 0.19 4.02 0.02 -1.26 -5.03 135.00 132.43 1pi4 s PRO 213 Ca 0.39 2.24 -0.22 0.00 0.02 0.00 0.00 61.00 63.44 1pi4 s PRO 213 Cb -0.10 -2.36 0.06 0.00 0.02 0.00 0.00 34.50 32.12 1pi4 s PRO 213 CO 0.32 -1.06 0.62 0.20 -0.33 0.00 0.00 177.00 176.75 1pi4 s GLY 214 N -0.88 -0.47 0.26 0.52 0.00 -1.26 -5.08 107.32 100.41 1pi4 s GLY 214 Ca 0.69 0.27 -0.30 0.00 0.00 0.00 0.00 44.72 45.38 1pi4 s GLY 214 CO 0.49 0.08 1.47 0.00 0.00 0.00 0.00 173.10 175.14 1pi4 s ALA 215 N -3.79 3.65 -1.98 3.20 0.00 -1.26 -2.09 121.76 119.49 1pi4 s ALA 215 Ca 0.04 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1pi4 s ALA 215 Cb -0.02 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1pi4 s ALA 215 CO -0.08 -0.80 0.00 1.28 0.00 0.00 0.00 175.76 176.16 1pi4 n LEU 216 N 2.20 -1.78 -0.08 0.00 4.77 -1.26 -4.87 117.00 115.98 1pi4 n LEU 216 Ca 0.07 0.21 -0.11 0.00 -0.03 0.00 0.00 56.01 56.15 1pi4 n LEU 216 Cb 0.40 -2.92 -0.04 0.00 -2.33 0.00 0.00 43.42 38.52 1pi4 n LEU 216 CO 0.61 -0.59 0.81 -2.24 -1.33 0.00 0.00 177.39 174.65 1pi4 h ASP 217 N 0.00 0.39 -0.84 -1.43 3.04 -1.84 -1.82 116.42 113.91 1pi4 h ASP 217 Ca -0.47 -0.25 0.07 0.00 -3.24 0.00 0.00 57.03 53.13 1pi4 h ASP 217 Cb 1.37 -0.10 -0.06 0.00 -1.04 0.00 0.00 39.33 39.49 1pi4 h ASP 217 CO 0.61 0.54 0.51 0.00 -2.04 0.00 0.00 179.24 178.86 1pi4 h ALA 218 N 0.86 1.16 0.00 4.15 0.00 -1.89 0.24 119.26 123.78 1pi4 h ALA 218 Ca 0.08 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1pi4 h ALA 218 Cb 0.31 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1pi4 h ALA 218 CO 0.00 0.23 -0.72 0.93 0.00 0.00 0.00 179.25 179.69 1pi4 h GLU 219 N 0.92 0.00 0.00 0.00 3.07 -1.86 -3.30 114.58 113.40 1pi4 h GLU 219 Ca 0.37 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 59.00 1pi4 h GLU 219 Cb 0.20 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.07 1pi4 h GLU 219 CO -0.18 0.72 -1.91 0.00 -1.40 0.00 0.00 179.01 176.24 1pi4 n ALA 220 N -2.39 1.70 -2.00 3.43 0.00 -0.70 -4.55 120.51 116.00 1pi4 n ALA 220 Ca -0.01 -0.87 -0.00 0.00 0.00 0.00 0.00 53.44 52.57 1pi4 n ALA 220 Cb 0.71 -0.05 -0.00 0.00 0.00 0.00 0.00 19.45 20.11 1pi4 n ALA 220 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1pi4 n TYR 221 N -2.48 0.00 -0.50 0.00 0.18 0.14 -4.18 117.16 110.32 1pi4 n TYR 221 Ca -0.21 -0.00 0.09 0.00 1.88 0.00 0.00 57.90 59.66 1pi4 n TYR 221 Cb 0.92 0.25 0.31 0.00 -0.38 0.00 0.00 39.34 40.43 1pi4 n TYR 221 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1pi4 n GLY 222 N 0.00 2.78 3.80 -7.48 0.00 0.62 -3.62 105.19 101.30 1pi4 n GLY 222 Ca -0.00 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 1pi4 n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pi4 s VAL 223 N -1.53 4.58 -0.03 1.61 1.01 -1.26 -4.46 120.40 120.31 1pi4 s VAL 223 Ca 0.45 1.37 0.07 0.00 0.00 0.00 0.00 61.98 63.87 1pi4 s VAL 223 Cb 0.27 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1pi4 s VAL 223 CO 0.25 0.43 -0.24 -0.54 0.00 0.00 0.00 175.10 175.00 1pi4 s LYS 224 N -1.41 2.28 0.25 2.72 3.01 0.53 -1.12 119.74 126.00 1pi4 s LYS 224 Ca 0.35 -0.89 -0.16 0.00 -1.01 0.00 0.00 55.97 54.27 1pi4 s LYS 224 Cb -0.20 -2.13 0.01 0.00 -1.01 0.00 0.00 37.83 34.51 1pi4 s LYS 224 CO 0.22 0.53 0.56 0.45 0.51 0.00 0.00 175.35 177.62 1pi4 s SER 225 N -0.52 -0.18 0.41 2.83 0.15 -0.55 -0.80 113.70 115.04 1pi4 s SER 225 Ca 0.07 -0.74 0.06 0.00 0.70 0.00 0.00 55.95 56.04 1pi4 s SER 225 Cb -0.11 0.63 0.01 0.00 -1.71 0.00 0.00 66.02 64.84 1pi4 s SER 225 CO 0.00 -1.19 0.57 0.42 1.20 0.00 0.00 173.24 174.25 1pi4 s THR 226 N -3.96 3.34 0.34 6.45 -4.23 -1.23 -1.00 115.64 115.36 1pi4 s THR 226 Ca 0.16 -0.92 0.14 0.00 -1.18 0.00 0.00 61.69 59.89 1pi4 s THR 226 Cb -0.02 -3.15 0.10 0.00 1.34 0.00 0.00 72.50 70.76 1pi4 s THR 226 CO 0.06 -0.07 1.81 -0.29 -0.54 0.00 0.00 174.62 175.59 1pi4 h ILE 227 N 0.62 1.20 -0.20 2.99 6.09 -1.73 -0.95 117.51 125.53 1pi4 h ILE 227 Ca -0.42 -1.35 -0.08 0.00 -1.37 0.00 0.00 64.86 61.63 1pi4 h ILE 227 Cb 1.27 1.75 -0.00 0.00 0.47 0.00 0.00 36.82 40.31 1pi4 h ILE 227 CO 0.49 0.38 -0.18 -0.33 -3.07 0.00 0.00 178.15 175.44 1pi4 h GLU 228 N 0.00 0.48 -0.38 2.19 5.08 -1.94 -1.09 114.58 118.92 1pi4 h GLU 228 Ca -0.00 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.00 1pi4 h GLU 228 Cb 0.71 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1pi4 h GLU 228 CO 0.05 0.82 -0.19 -0.44 -1.00 0.00 0.00 179.01 178.24 1pi4 h ASP 229 N 0.16 0.73 -0.13 1.42 3.45 -1.84 -1.94 116.42 118.26 1pi4 h ASP 229 Ca 0.03 -0.24 -0.10 0.00 0.43 0.00 0.00 57.03 57.15 1pi4 h ASP 229 Cb 0.72 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.28 1pi4 h ASP 229 CO 0.05 0.91 -0.22 0.24 -1.57 0.00 0.00 179.24 178.66 1pi4 h MET 230 N 0.64 0.56 -0.88 3.56 2.86 -1.11 0.10 114.93 120.67 1pi4 h MET 230 Ca 0.10 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1pi4 h MET 230 Cb 0.68 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.26 1pi4 h MET 230 CO 0.05 0.74 0.46 0.00 1.06 0.00 0.00 176.91 179.22 1pi4 h ALA 231 N 1.27 1.13 -0.52 6.32 0.00 -0.91 -0.54 119.26 126.02 1pi4 h ALA 231 Ca 0.08 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1pi4 h ALA 231 Cb 0.65 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1pi4 h ALA 231 CO 0.05 0.65 -0.03 -0.09 0.00 0.00 0.00 179.25 179.83 1pi4 h ARG 232 N 1.23 0.89 -0.52 0.00 2.43 -0.76 -0.30 114.38 117.36 1pi4 h ARG 232 Ca 0.31 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1pi4 h ARG 232 Cb 0.06 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1pi4 h ARG 232 CO -0.05 0.90 0.28 2.35 -1.51 0.00 0.00 179.97 181.95 1pi4 h TRP 233 N 0.82 0.71 -0.51 2.20 -0.00 -0.34 -0.62 115.95 118.21 1pi4 h TRP 233 Ca 0.15 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 58.99 1pi4 h TRP 233 Cb 0.53 -0.23 -0.02 0.00 -0.00 0.00 0.00 29.16 29.44 1pi4 h TRP 233 CO 0.03 0.53 0.22 0.28 -0.00 0.00 0.00 178.44 179.50 1pi4 h VAL 234 N 0.69 1.21 -0.41 2.65 2.07 -0.74 -1.67 116.25 120.05 1pi4 h VAL 234 Ca 0.18 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1pi4 h VAL 234 Cb 0.06 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1pi4 h VAL 234 CO -0.03 0.24 0.12 -0.61 0.02 0.00 0.00 177.57 177.32 1pi4 h GLN 235 N 0.68 0.59 -0.40 1.57 5.75 -0.78 0.13 115.11 122.65 1pi4 h GLN 235 Ca 0.17 -0.09 -0.10 0.00 -0.15 0.00 0.00 58.65 58.48 1pi4 h GLN 235 Cb 0.17 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 1pi4 h GLN 235 CO -0.02 0.53 -0.14 0.77 -2.65 0.00 0.00 178.83 177.32 1pi4 h SER 236 N 0.59 0.73 1.33 -0.69 0.02 -0.73 -1.88 113.55 112.92 1pi4 h SER 236 Ca 0.14 -0.23 -0.14 0.00 -0.84 0.00 0.00 61.79 60.72 1pi4 h SER 236 Cb 0.18 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1pi4 h SER 236 CO -0.01 0.89 -0.67 0.78 -1.14 0.00 0.00 176.83 176.69 1pi4 h ASN 237 N 0.66 0.00 0.15 3.07 2.35 -0.63 -2.89 115.58 118.29 1pi4 h ASN 237 Ca 0.11 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.67 1pi4 h ASN 237 Cb 0.62 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 1pi4 h ASN 237 CO 0.04 0.67 -0.70 -0.07 -1.65 0.00 0.00 177.43 175.72 1pi4 h LEU 238 N 0.00 0.58 -6.03 1.61 3.38 -0.65 -3.39 115.31 110.81 1pi4 h LEU 238 Ca -0.01 -0.37 -0.57 0.00 0.09 0.00 0.00 57.88 57.03 1pi4 h LEU 238 Cb 1.51 -0.17 -0.40 0.00 0.09 0.00 0.00 40.66 41.69 1pi4 h LEU 238 CO 0.09 1.11 -0.96 1.17 0.09 0.00 0.00 178.44 179.93 1pi4 n LYS 239 N -3.88 1.29 0.29 1.13 4.81 -0.72 -4.85 118.16 116.23 1pi4 n LYS 239 Ca -0.05 -3.67 0.15 0.00 -0.87 0.00 0.00 58.31 53.88 1pi4 n LYS 239 Cb 0.69 -1.55 0.88 0.00 0.02 0.00 0.00 35.03 35.07 1pi4 n LYS 239 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1pi4 h PRO 240 N 3.96 0.00 0.00 1.64 0.13 -1.72 -2.42 132.00 133.60 1pi4 h PRO 240 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1pi4 h PRO 240 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1pi4 h PRO 240 CO 0.58 0.04 0.00 -0.07 -0.23 0.00 0.00 178.00 178.31 1pi4 h LEU 241 N 0.00 0.00 -0.07 1.56 3.38 -1.91 -1.58 115.31 116.68 1pi4 h LEU 241 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pi4 h LEU 241 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1pi4 h LEU 241 CO 0.01 0.00 -0.19 0.47 0.09 0.00 0.00 178.44 178.81 1pi4 n ASP 242 N -2.31 0.31 -4.70 -0.43 10.43 -0.91 -4.84 116.55 114.11 1pi4 n ASP 242 Ca 0.01 -0.07 -0.42 0.00 2.57 0.00 0.00 54.79 56.88 1pi4 n ASP 242 Cb 0.18 -0.13 -0.03 0.00 1.84 0.00 0.00 41.12 42.99 1pi4 n ASP 242 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1pi4 s ILE 243 N -2.84 4.82 0.03 0.53 1.01 -0.60 -4.95 121.20 119.20 1pi4 s ILE 243 Ca 0.18 2.04 0.13 0.00 0.00 0.00 0.00 60.65 62.99 1pi4 s ILE 243 Cb 0.19 -4.31 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 1pi4 s ILE 243 CO 0.57 0.06 1.46 0.78 0.00 0.00 0.00 174.94 177.81 1pi4 h ASN 244 N 6.99 0.00 -3.48 3.58 2.35 -1.88 -3.43 115.58 119.71 1pi4 h ASN 244 Ca -0.35 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 54.84 1pi4 h ASN 244 Cb 1.17 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.48 1pi4 h ASN 244 CO 0.82 0.65 0.96 -1.61 -1.65 0.00 0.00 177.43 176.59 1pi4 s GLU 245 N -3.06 3.75 0.20 0.81 8.01 -1.26 -4.91 118.70 122.24 1pi4 s GLU 245 Ca 0.02 0.81 -0.11 0.00 0.01 0.00 0.00 54.97 55.70 1pi4 s GLU 245 Cb 0.09 -3.91 0.24 0.00 -4.31 0.00 0.00 34.13 26.24 1pi4 s GLU 245 CO 0.76 -1.34 1.74 0.87 0.01 0.00 0.00 175.26 177.31 1pi4 h LYS 246 N 9.47 0.36 0.00 1.61 1.57 -2.00 -0.74 116.57 126.84 1pi4 h LYS 246 Ca -0.24 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.42 1pi4 h LYS 246 Cb 1.08 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1pi4 h LYS 246 CO 1.09 0.24 -0.44 1.79 -0.57 0.00 0.00 179.45 181.56 1pi4 h THR 247 N 0.38 1.13 -0.02 -0.16 1.35 -1.91 -1.45 112.91 112.22 1pi4 h THR 247 Ca 0.28 -1.62 -0.21 0.00 -0.55 0.00 0.00 66.41 64.31 1pi4 h THR 247 Cb 0.34 1.92 0.02 0.00 -1.73 0.00 0.00 68.15 68.69 1pi4 h THR 247 CO -0.29 0.43 -0.81 0.25 -0.25 0.00 0.00 175.52 174.85 1pi4 h LEU 248 N 0.00 0.74 -0.50 3.87 5.85 -1.75 0.62 115.31 124.15 1pi4 h LEU 248 Ca -0.00 -0.73 0.06 0.00 0.84 0.00 0.00 57.88 58.04 1pi4 h LEU 248 Cb 0.88 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1pi4 h LEU 248 CO 0.06 1.38 0.20 -0.61 -0.34 0.00 0.00 178.44 179.13 1pi4 h GLN 249 N 0.19 0.39 -0.59 1.25 4.15 -1.03 -0.51 115.11 118.96 1pi4 h GLN 249 Ca -0.10 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.21 1pi4 h GLN 249 Cb 1.49 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 29.07 1pi4 h GLN 249 CO 0.16 0.26 0.02 0.37 -1.93 0.00 0.00 178.83 177.71 1pi4 h GLN 250 N 0.40 1.01 -0.84 1.69 4.15 -1.19 -2.45 115.11 117.88 1pi4 h GLN 250 Ca 0.23 -0.30 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 1pi4 h GLN 250 Cb 0.22 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.77 1pi4 h GLN 250 CO -0.21 0.98 0.43 0.78 -1.93 0.00 0.00 178.83 178.87 1pi4 h GLY 251 N 1.00 1.27 1.00 2.39 0.00 -0.31 0.21 103.07 108.64 1pi4 h GLY 251 Ca 0.17 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1pi4 h GLY 251 CO 0.03 0.58 0.29 -2.22 0.00 0.00 0.00 176.54 175.21 1pi4 h ILE 252 N 1.18 1.22 -0.81 2.60 2.04 -0.95 -1.44 117.51 121.34 1pi4 h ILE 252 Ca 0.29 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1pi4 h ILE 252 Cb 0.08 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 1pi4 h ILE 252 CO -0.04 0.26 0.39 1.56 0.00 0.00 0.00 178.15 180.32 1pi4 h GLN 253 N 0.86 1.17 -0.19 2.37 4.20 -0.92 -2.51 115.11 120.09 1pi4 h GLN 253 Ca 0.21 -0.17 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 1pi4 h GLN 253 Cb 0.14 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1pi4 h GLN 253 CO -0.02 0.90 -0.26 -0.07 -0.67 0.00 0.00 178.83 178.71 1pi4 h LEU 254 N 1.15 0.34 -1.29 1.46 3.38 -0.64 -2.65 115.31 117.07 1pi4 h LEU 254 Ca 0.28 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1pi4 h LEU 254 Cb 0.12 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1pi4 h LEU 254 CO -0.04 0.61 -0.10 0.00 0.09 0.00 0.00 178.44 179.00 1pi4 h ALA 255 N 1.42 1.02 -0.33 1.53 0.00 -0.84 -2.59 119.26 119.48 1pi4 h ALA 255 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1pi4 h ALA 255 Cb 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1pi4 h ALA 255 CO 0.04 0.13 0.00 1.04 0.00 0.00 0.00 179.25 180.46 1pi4 n GLN 256 N -3.24 2.31 -1.86 0.00 6.02 -1.02 -0.95 117.38 118.64 1pi4 n GLN 256 Ca 0.00 -1.98 -0.32 0.00 -0.01 0.00 0.00 57.00 54.70 1pi4 n GLN 256 Cb 0.36 -1.48 0.02 0.00 1.02 0.00 0.00 30.24 30.16 1pi4 n GLN 256 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1pi4 s SER 257 N -1.51 5.76 -0.36 1.08 0.01 -0.98 -3.71 113.70 113.99 1pi4 s SER 257 Ca 0.37 1.65 -0.11 0.00 1.31 0.00 0.00 55.95 59.16 1pi4 s SER 257 Cb 0.21 -2.51 0.01 0.00 0.21 0.00 0.00 66.02 63.95 1pi4 s SER 257 CO 0.30 -1.18 0.21 -0.13 0.41 0.00 0.00 173.24 172.85 1pi4 s ARG 258 N -4.63 3.03 -0.20 12.44 0.52 -0.16 -3.95 118.95 126.01 1pi4 s ARG 258 Ca 0.60 -0.94 0.15 0.00 -0.52 0.00 0.00 55.73 55.01 1pi4 s ARG 258 Cb -0.14 -3.74 -0.24 0.00 0.52 0.00 0.00 34.95 31.36 1pi4 s ARG 258 CO 0.46 -0.62 0.06 0.66 0.02 0.00 0.00 175.30 175.89 1pi4 n TYR 259 N 5.03 0.07 -3.88 -0.53 4.01 -0.45 -2.16 117.16 119.25 1pi4 n TYR 259 Ca -0.12 0.02 -0.10 0.00 -0.16 0.00 0.00 57.90 57.54 1pi4 n TYR 259 Cb 0.47 -1.01 -0.09 0.00 -0.31 0.00 0.00 39.34 38.40 1pi4 n TYR 259 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1pi4 s TRP 260 N -2.50 0.10 -0.03 -0.72 0.52 -1.24 -1.73 118.94 113.34 1pi4 s TRP 260 Ca -0.14 -0.32 0.04 0.00 0.02 0.00 0.00 56.10 55.71 1pi4 s TRP 260 Cb 0.07 -0.07 -0.01 0.00 -1.15 0.00 0.00 33.47 32.30 1pi4 s TRP 260 CO 0.79 -0.37 -0.16 -1.14 0.02 0.00 0.00 176.95 176.09 1pi4 s GLN 261 N -2.26 1.52 -0.25 4.98 0.74 -0.47 -1.41 119.66 122.52 1pi4 s GLN 261 Ca -0.08 -0.57 -0.02 0.00 0.05 0.00 0.00 55.36 54.74 1pi4 s GLN 261 Cb -0.03 -1.39 0.08 0.00 1.10 0.00 0.00 33.01 32.77 1pi4 s GLN 261 CO -0.03 0.28 0.06 0.99 -0.55 0.00 0.00 175.29 176.04 1pi4 s THR 262 N -0.12 0.69 0.00 -0.34 2.01 -0.17 -1.19 115.64 116.51 1pi4 s THR 262 Ca 0.00 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.08 1pi4 s THR 262 Cb -0.09 -1.32 0.00 0.00 0.01 0.00 0.00 72.50 71.10 1pi4 s THR 262 CO 0.01 -0.41 0.00 0.61 -0.69 0.00 0.00 174.62 174.14 1pi4 n GLY 263 N 4.96 3.90 0.56 4.40 0.00 -1.26 -0.99 105.19 116.76 1pi4 n GLY 263 Ca -0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.09 1pi4 n GLY 263 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pi4 n ASP 264 N 6.94 1.77 -4.73 1.61 8.00 -1.26 -4.93 116.55 123.95 1pi4 n ASP 264 Ca 0.00 -1.57 -0.30 0.00 0.71 0.00 0.00 54.79 53.64 1pi4 n ASP 264 Cb 0.00 0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.04 1pi4 n ASP 264 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pi4 s MET 265 N -2.03 2.71 -0.04 -1.24 0.23 -0.17 -4.42 119.30 114.35 1pi4 s MET 265 Ca 0.35 -0.79 0.07 0.00 -1.03 0.00 0.00 55.69 54.29 1pi4 s MET 265 Cb 0.21 -2.62 -0.01 0.00 -1.53 0.00 0.00 34.83 30.88 1pi4 s MET 265 CO 0.34 0.54 -0.24 0.71 -2.03 0.00 0.00 175.02 174.34 1pi4 s TYR 266 N -1.40 2.27 -0.24 3.16 1.51 0.22 -1.00 117.35 121.87 1pi4 s TYR 266 Ca 0.28 -0.58 -0.11 0.00 -1.01 0.00 0.00 57.07 55.65 1pi4 s TYR 266 Cb -0.12 -1.48 -0.05 0.00 -0.11 0.00 0.00 41.96 40.20 1pi4 s TYR 266 CO 0.20 -0.14 0.18 -1.14 -1.11 0.00 0.00 175.55 173.55 1pi4 s GLN 267 N -0.31 4.08 0.00 -0.62 2.00 -0.50 -1.07 119.66 123.24 1pi4 s GLN 267 Ca 0.02 -0.23 0.00 0.00 -2.00 0.00 0.00 55.36 53.15 1pi4 s GLN 267 Cb -0.12 -3.54 0.00 0.00 0.80 0.00 0.00 33.01 30.15 1pi4 s GLN 267 CO 0.02 0.04 0.00 0.41 -0.50 0.00 0.00 175.29 175.26 1pi4 n GLY 268 N 4.28 2.28 3.34 2.59 0.00 -0.13 -1.34 105.19 116.21 1pi4 n GLY 268 Ca -0.14 -1.96 -0.45 0.00 0.00 0.00 0.00 46.02 43.46 1pi4 n GLY 268 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pi4 s LEU 269 N 0.00 5.92 0.00 0.99 1.43 -0.12 -4.62 118.68 122.27 1pi4 s LEU 269 Ca 0.00 -1.59 0.00 0.00 -1.03 0.00 0.00 54.13 51.51 1pi4 s LEU 269 Cb 0.00 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 44.00 1pi4 s LEU 269 CO 0.00 -0.82 0.00 0.61 0.23 0.00 0.00 176.35 176.37 1pi4 n GLY 270 N 5.24 1.83 3.77 -3.19 0.00 -1.26 -4.30 105.19 107.28 1pi4 n GLY 270 Ca -0.13 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 1pi4 n GLY 270 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pi4 s TRP 271 N 0.00 2.59 0.17 1.61 0.52 -1.26 -4.63 118.94 117.93 1pi4 s TRP 271 Ca 0.00 1.54 0.09 0.00 0.02 0.00 0.00 56.10 57.76 1pi4 s TRP 271 Cb 0.00 -3.32 -0.04 0.00 -1.15 0.00 0.00 33.47 28.96 1pi4 s TRP 271 CO 0.00 -1.75 -0.21 -1.21 0.02 0.00 0.00 176.95 173.80 1pi4 s GLU 272 N -3.42 1.34 0.02 4.98 2.02 -1.01 -0.96 118.70 121.67 1pi4 s GLU 272 Ca 0.73 -1.42 -0.07 0.00 0.02 0.00 0.00 54.97 54.23 1pi4 s GLU 272 Cb -0.25 -1.52 -0.00 0.00 0.10 0.00 0.00 34.13 32.46 1pi4 s GLU 272 CO 0.31 0.32 0.13 -1.64 0.02 0.00 0.00 175.26 174.39 1pi4 s MET 273 N -2.65 0.54 0.07 1.61 -1.94 -0.23 -1.06 119.30 115.64 1pi4 s MET 273 Ca 0.16 -0.55 0.03 0.00 -1.71 0.00 0.00 55.69 53.62 1pi4 s MET 273 Cb -0.07 0.22 -0.03 0.00 2.01 0.00 0.00 34.83 36.96 1pi4 s MET 273 CO 0.07 -0.13 -0.10 -0.51 -0.01 0.00 0.00 175.02 174.34 1pi4 s LEU 274 N -1.72 2.32 0.33 -0.03 1.02 -0.26 -0.61 118.68 119.72 1pi4 s LEU 274 Ca -0.10 -0.67 -0.28 0.00 0.02 0.00 0.00 54.13 53.09 1pi4 s LEU 274 Cb -0.05 -0.27 -0.10 0.00 0.02 0.00 0.00 46.19 45.80 1pi4 s LEU 274 CO -0.01 -0.21 1.22 -1.81 0.02 0.00 0.00 176.35 175.55 1pi4 s ASP 275 N -1.97 6.88 -0.11 2.29 -0.00 -1.26 -0.54 116.67 121.96 1pi4 s ASP 275 Ca -0.02 2.50 -0.04 0.00 -0.00 0.00 0.00 52.55 54.99 1pi4 s ASP 275 Cb -0.07 -2.64 -0.04 0.00 -0.00 0.00 0.00 42.92 40.18 1pi4 s ASP 275 CO 0.00 -0.44 0.04 0.86 -0.00 0.00 0.00 175.17 175.63 1pi4 s TRP 276 N -1.20 3.28 0.56 4.23 -0.11 -0.16 -3.97 118.94 121.58 1pi4 s TRP 276 Ca 0.49 0.25 -0.18 0.00 1.22 0.00 0.00 56.10 57.88 1pi4 s TRP 276 Cb -0.36 -1.87 -0.05 0.00 -1.50 0.00 0.00 33.47 29.70 1pi4 s TRP 276 CO 0.47 0.49 1.09 -1.25 -4.62 0.00 0.00 176.95 173.13 1pi4 s PRO 277 N -0.74 3.34 -0.07 5.86 0.04 -1.26 -4.70 135.00 137.46 1pi4 s PRO 277 Ca 0.12 1.44 -0.28 0.00 0.04 0.00 0.00 61.00 62.32 1pi4 s PRO 277 Cb -0.12 -2.02 0.06 0.00 0.04 0.00 0.00 34.50 32.47 1pi4 s PRO 277 CO 0.02 -0.83 0.64 0.54 0.04 0.00 0.00 177.00 177.42 1pi4 s VAL 278 N -2.05 0.01 0.30 -0.36 0.11 -1.26 -5.11 120.40 112.05 1pi4 s VAL 278 Ca 0.69 -0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 59.68 1pi4 s VAL 278 Cb -0.20 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.66 1pi4 s VAL 278 CO 0.30 -0.03 0.51 0.20 -3.33 0.00 0.00 175.10 172.76 1pi4 s ASN 279 N -1.01 6.34 0.38 3.54 0.01 -1.26 -4.97 114.94 117.97 1pi4 s ASN 279 Ca -0.10 0.49 0.10 0.00 -0.71 0.00 0.00 52.86 52.63 1pi4 s ASN 279 Cb -0.01 -2.05 0.85 0.00 0.41 0.00 0.00 41.25 40.45 1pi4 s ASN 279 CO 0.08 -0.22 1.92 1.55 -1.51 0.00 0.00 177.10 178.92 1pi4 h PRO 280 N 1.20 0.62 -0.78 -0.60 0.13 -1.98 -1.71 132.00 128.88 1pi4 h PRO 280 Ca -0.49 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 1pi4 h PRO 280 Cb 1.21 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 1pi4 h PRO 280 CO 0.64 0.41 0.47 -0.44 -0.23 0.00 0.00 178.00 178.84 1pi4 h ASP 281 N 0.64 0.94 0.23 1.44 3.32 -1.99 0.39 116.42 121.38 1pi4 h ASP 281 Ca 0.38 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.26 1pi4 h ASP 281 Cb 0.58 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1pi4 h ASP 281 CO -0.15 0.73 -0.39 0.28 -1.72 0.00 0.00 179.24 178.00 1pi4 h SER 282 N 1.07 0.23 -0.31 6.45 0.02 -1.74 -1.31 113.55 117.96 1pi4 h SER 282 Ca 0.28 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 1pi4 h SER 282 Cb -0.03 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1pi4 h SER 282 CO -0.05 0.60 -0.25 0.40 -1.14 0.00 0.00 176.83 176.40 1pi4 h ILE 283 N 0.19 1.30 -0.16 3.27 2.04 -0.70 0.37 117.51 123.81 1pi4 h ILE 283 Ca 0.02 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.47 1pi4 h ILE 283 Cb 0.78 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1pi4 h ILE 283 CO 0.06 0.45 0.06 0.40 0.00 0.00 0.00 178.15 179.12 1pi4 h ILE 284 N 0.47 1.16 0.00 -0.67 2.04 -0.76 -2.24 117.51 117.51 1pi4 h ILE 284 Ca 0.06 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 1pi4 h ILE 284 Cb 0.81 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1pi4 h ILE 284 CO 0.06 0.16 -0.21 0.78 0.00 0.00 0.00 178.15 178.94 1pi4 h ASN 285 N 0.10 0.00 -0.97 1.72 2.35 -1.20 -3.02 115.58 114.57 1pi4 h ASN 285 Ca 0.05 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.23 1pi4 h ASN 285 Cb 0.19 0.00 -0.30 0.00 0.05 0.00 0.00 38.32 38.26 1pi4 h ASN 285 CO -0.00 0.21 0.70 0.61 -1.65 0.00 0.00 177.43 177.29 1pi4 n GLY 286 N 0.18 5.13 3.79 2.83 0.00 0.13 -4.97 105.19 112.28 1pi4 n GLY 286 Ca 0.00 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 1pi4 n GLY 286 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pi4 s SER 287 N -1.61 0.03 0.00 1.61 1.04 -0.95 -4.46 113.70 109.35 1pi4 s SER 287 Ca 0.60 -1.09 0.10 0.00 0.48 0.00 0.00 55.95 56.04 1pi4 s SER 287 Cb 0.49 0.82 0.51 0.00 0.10 0.00 0.00 66.02 67.94 1pi4 s SER 287 CO 0.05 -1.61 1.34 0.47 0.98 0.00 0.00 173.24 174.48 1pi4 n ASP 288 N -1.25 0.24 0.21 7.02 8.00 -1.26 -3.38 116.55 126.13 1pi4 n ASP 288 Ca -0.07 -1.75 0.14 0.00 0.71 0.00 0.00 54.79 53.82 1pi4 n ASP 288 Cb 0.60 -0.02 0.36 0.00 -0.02 0.00 0.00 41.12 42.03 1pi4 n ASP 288 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pi4 h ALA 289 N 3.35 1.00 -2.46 2.24 0.00 -1.88 -3.45 119.26 118.06 1pi4 h ALA 289 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1pi4 h ALA 289 Cb 0.07 0.00 0.15 0.00 0.00 0.00 0.00 17.79 18.00 1pi4 h ALA 289 CO 0.00 0.00 0.33 -1.59 0.00 0.00 0.00 179.25 177.99 1pi4 s LYS 290 N -3.32 2.08 0.22 0.00 -2.85 -1.22 -3.82 119.74 110.84 1pi4 s LYS 290 Ca 0.06 1.49 -0.01 0.00 -1.00 0.00 0.00 55.97 56.51 1pi4 s LYS 290 Cb 0.07 -1.85 0.22 0.00 -2.06 0.00 0.00 37.83 34.21 1pi4 s LYS 290 CO 0.61 -1.82 1.59 0.82 0.10 0.00 0.00 175.35 176.64 1pi4 h ILE 291 N -0.75 1.30 -3.98 3.79 1.08 -1.92 -3.45 117.51 113.58 1pi4 h ILE 291 Ca -0.45 -1.58 -0.46 0.00 -0.39 0.00 0.00 64.86 61.98 1pi4 h ILE 291 Cb 1.26 1.57 -0.02 0.00 -3.07 0.00 0.00 36.82 36.56 1pi4 h ILE 291 CO 0.49 0.50 0.35 0.00 -0.69 0.00 0.00 178.15 178.80 1pi4 s ALA 292 N -4.23 3.11 -0.32 1.87 0.00 -1.26 -5.02 121.76 115.90 1pi4 s ALA 292 Ca -0.07 0.48 -0.19 0.00 0.00 0.00 0.00 51.96 52.17 1pi4 s ALA 292 Cb 0.12 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 1pi4 s ALA 292 CO 0.82 0.12 0.57 -1.17 0.00 0.00 0.00 175.76 176.10 1pi4 s LEU 293 N -2.68 4.22 -0.09 0.00 0.20 -1.26 -5.02 118.68 114.04 1pi4 s LEU 293 Ca 0.57 0.22 0.04 0.00 0.69 0.00 0.00 54.13 55.65 1pi4 s LEU 293 Cb -0.14 -2.70 -0.00 0.00 -0.43 0.00 0.00 46.19 42.92 1pi4 s LEU 293 CO 0.19 -0.47 -0.23 0.00 -0.29 0.00 0.00 176.35 175.54 1pi4 s ALA 294 N 2.51 2.12 -0.25 5.97 0.00 -1.26 -5.10 121.76 125.75 1pi4 s ALA 294 Ca 0.22 -0.95 -0.19 0.00 0.00 0.00 0.00 51.96 51.05 1pi4 s ALA 294 Cb -0.15 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 1pi4 s ALA 294 CO 0.13 0.29 0.55 0.00 0.00 0.00 0.00 175.76 176.73 1pi4 s ALA 295 N 0.31 3.59 -0.09 0.00 0.00 -1.26 -4.58 121.76 119.74 1pi4 s ALA 295 Ca -0.17 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1pi4 s ALA 295 Cb -0.18 -2.92 0.02 0.00 0.00 0.00 0.00 23.12 20.04 1pi4 s ALA 295 CO 0.08 -0.72 -0.11 1.03 0.00 0.00 0.00 175.76 176.05 1pi4 s ARG 296 N 2.27 1.67 0.44 0.00 1.81 -0.79 -4.98 118.95 119.37 1pi4 s ARG 296 Ca 0.23 -0.36 -0.25 0.00 -1.72 0.00 0.00 55.73 53.63 1pi4 s ARG 296 Cb -0.16 -1.50 -0.08 0.00 -0.45 0.00 0.00 34.95 32.76 1pi4 s ARG 296 CO 0.09 -0.09 1.35 -2.14 -0.68 0.00 0.00 175.30 173.83 1pi4 s PRO 297 N 1.08 3.75 0.18 3.54 0.02 -1.26 -0.40 135.00 141.91 1pi4 s PRO 297 Ca -0.07 2.26 0.11 0.00 0.02 0.00 0.00 61.00 63.32 1pi4 s PRO 297 Cb -0.14 -2.64 -0.04 0.00 0.02 0.00 0.00 34.50 31.69 1pi4 s PRO 297 CO -0.01 -0.70 -0.22 0.14 -0.33 0.00 0.00 177.00 175.87 1pi4 s VAL 298 N -1.26 2.49 -0.15 3.83 -7.23 -0.56 -4.69 120.40 112.84 1pi4 s VAL 298 Ca 0.60 -1.92 -0.03 0.00 -1.81 0.00 0.00 61.98 58.83 1pi4 s VAL 298 Cb -0.40 -2.19 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 1pi4 s VAL 298 CO 0.51 -0.08 -0.04 -0.75 -0.31 0.00 0.00 175.10 174.43 1pi4 s LYS 299 N -2.59 3.60 0.37 4.82 2.20 -0.33 -4.81 119.74 123.00 1pi4 s LYS 299 Ca 0.20 -0.53 -0.27 0.00 -0.36 0.00 0.00 55.97 55.02 1pi4 s LYS 299 Cb -0.08 -2.88 -0.09 0.00 -1.51 0.00 0.00 37.83 33.27 1pi4 s LYS 299 CO 0.10 0.27 1.19 0.00 -0.36 0.00 0.00 175.35 176.55 1pi4 s ALA 300 N 0.28 3.28 -0.44 3.13 0.00 -1.26 -1.36 121.76 125.38 1pi4 s ALA 300 Ca -0.04 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.85 1pi4 s ALA 300 Cb -0.14 -3.40 0.09 0.00 0.00 0.00 0.00 23.12 19.67 1pi4 s ALA 300 CO 0.03 -0.51 0.31 0.42 0.00 0.00 0.00 175.76 176.01 1pi4 s ILE 301 N -1.31 4.48 -0.37 0.00 1.01 -0.70 -4.88 121.20 119.42 1pi4 s ILE 301 Ca 0.53 -1.39 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 1pi4 s ILE 301 Cb -0.33 -3.76 0.09 0.00 0.01 0.00 0.00 42.46 38.47 1pi4 s ILE 301 CO 0.43 -0.58 0.13 -0.89 0.00 0.00 0.00 174.94 174.03 1pi4 s THR 302 N 1.47 3.18 0.67 2.92 2.01 -1.26 -1.82 115.64 122.81 1pi4 s THR 302 Ca 0.04 -1.83 -0.07 0.00 0.31 0.00 0.00 61.69 60.14 1pi4 s THR 302 Cb -0.24 -3.07 0.04 0.00 0.01 0.00 0.00 72.50 69.24 1pi4 s THR 302 CO 0.03 -0.49 0.99 -2.16 -0.69 0.00 0.00 174.62 172.29 1pi4 s PRO 303 N 1.18 2.46 0.40 4.92 0.04 -1.26 -5.09 135.00 137.65 1pi4 s PRO 303 Ca 0.04 -0.13 -0.26 0.00 0.04 0.00 0.00 61.00 60.69 1pi4 s PRO 303 Cb -0.22 -2.19 -0.10 0.00 0.04 0.00 0.00 34.50 32.03 1pi4 s PRO 303 CO -0.03 -1.06 1.27 -2.30 0.04 0.00 0.00 177.00 174.92 1pi4 n PRO 304 N -2.82 1.96 -2.65 0.56 -0.02 -0.75 -4.95 135.00 126.32 1pi4 n PRO 304 Ca 0.07 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.82 1pi4 n PRO 304 Cb 0.59 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 1pi4 n PRO 304 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1pi4 s THR 305 N -1.18 4.65 0.80 3.45 2.01 -0.92 -4.81 115.64 119.63 1pi4 s THR 305 Ca 0.60 1.93 -0.13 0.00 0.31 0.00 0.00 61.69 64.40 1pi4 s THR 305 Cb -0.52 -4.23 0.08 0.00 0.01 0.00 0.00 72.50 67.83 1pi4 s THR 305 CO 0.59 0.17 1.18 -2.84 -0.69 0.00 0.00 174.62 173.03 1pi4 s PRO 306 N 0.90 1.76 -0.44 4.92 0.02 -1.26 -0.98 135.00 139.91 1pi4 s PRO 306 Ca 0.53 1.66 -0.44 0.00 0.02 0.00 0.00 61.00 62.77 1pi4 s PRO 306 Cb -0.23 -1.80 -0.19 0.00 0.02 0.00 0.00 34.50 32.30 1pi4 s PRO 306 CO 0.29 -2.10 1.49 0.00 -0.33 0.00 0.00 177.00 176.34 1pi4 n ALA 307 N -3.29 -1.45 -2.65 -1.55 0.00 -1.24 -4.75 120.51 105.58 1pi4 n ALA 307 Ca 0.13 0.48 -0.40 0.00 0.00 0.00 0.00 53.44 53.65 1pi4 n ALA 307 Cb 0.51 -1.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.08 1pi4 n ALA 307 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pi4 s VAL 308 N 2.66 5.05 0.14 0.00 1.01 -1.26 -5.00 120.40 123.00 1pi4 s VAL 308 Ca 0.99 1.06 -0.18 0.00 0.00 0.00 0.00 61.98 63.85 1pi4 s VAL 308 Cb -1.41 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 31.06 1pi4 s VAL 308 CO 0.77 0.12 1.77 0.03 0.00 0.00 0.00 175.10 177.78 1pi4 h ARG 309 N 7.61 0.30 -3.94 2.72 3.08 -1.97 -3.27 114.38 118.90 1pi4 h ARG 309 Ca -0.31 -0.02 -0.72 0.00 0.07 0.00 0.00 59.98 59.00 1pi4 h ARG 309 Cb 1.14 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.06 1pi4 h ARG 309 CO 0.75 0.20 2.92 0.00 -1.07 0.00 0.00 179.97 182.77 1pi4 n ALA 310 N -2.25 5.48 -2.78 0.04 0.00 -1.26 -1.39 120.51 118.36 1pi4 n ALA 310 Ca -0.01 -3.96 -0.15 0.00 0.00 0.00 0.00 53.44 49.32 1pi4 n ALA 310 Cb 0.08 -3.44 -0.12 0.00 0.00 0.00 0.00 19.45 15.97 1pi4 n ALA 310 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1pi4 s SER 311 N 2.79 1.19 -0.44 0.00 0.01 -1.24 -0.98 113.70 115.02 1pi4 s SER 311 Ca 0.46 -0.59 -0.18 0.00 1.31 0.00 0.00 55.95 56.94 1pi4 s SER 311 Cb 0.13 0.00 0.03 0.00 0.21 0.00 0.00 66.02 66.39 1pi4 s SER 311 CO -0.07 -0.16 0.52 0.86 0.41 0.00 0.00 173.24 174.79 1pi4 s TRP 312 N -1.42 3.13 -0.18 2.43 -0.11 0.30 -4.10 118.94 118.98 1pi4 s TRP 312 Ca -0.06 -0.31 -0.06 0.00 1.22 0.00 0.00 56.10 56.89 1pi4 s TRP 312 Cb -0.09 -3.10 -0.04 0.00 -1.50 0.00 0.00 33.47 28.74 1pi4 s TRP 312 CO 0.01 -0.79 0.03 0.08 -4.62 0.00 0.00 176.95 171.66 1pi4 s VAL 313 N 2.38 4.44 0.27 5.86 1.01 -0.13 -1.10 120.40 133.12 1pi4 s VAL 313 Ca 0.15 -0.16 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 1pi4 s VAL 313 Cb -0.17 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.24 1pi4 s VAL 313 CO 0.15 0.47 0.63 -1.38 0.00 0.00 0.00 175.10 174.97 1pi4 s HIS 314 N 0.44 0.04 -0.28 5.22 -0.00 -0.22 -0.68 115.29 119.81 1pi4 s HIS 314 Ca 0.01 -0.47 -0.19 0.00 -0.00 0.00 0.00 55.06 54.41 1pi4 s HIS 314 Cb -0.13 0.52 0.08 0.00 -0.00 0.00 0.00 32.58 33.05 1pi4 s HIS 314 CO 0.01 -1.16 0.74 0.21 -0.00 0.00 0.00 174.74 174.54 1pi4 s LYS 315 N -3.88 0.71 0.08 -0.38 2.47 -0.39 -2.41 119.74 115.94 1pi4 s LYS 315 Ca 0.16 1.10 0.03 0.00 -1.56 0.00 0.00 55.97 55.69 1pi4 s LYS 315 Cb -0.04 0.21 -0.04 0.00 -1.46 0.00 0.00 37.83 36.50 1pi4 s LYS 315 CO 0.08 -0.13 0.11 -0.08 0.16 0.00 0.00 175.35 175.49 1pi4 s THR 316 N 1.23 4.68 0.01 3.43 -1.32 -1.26 -1.96 115.64 120.45 1pi4 s THR 316 Ca -0.07 -0.72 -0.05 0.00 -1.21 0.00 0.00 61.69 59.64 1pi4 s THR 316 Cb -0.05 -3.27 -0.01 0.00 -1.51 0.00 0.00 72.50 67.67 1pi4 s THR 316 CO -0.14 0.11 0.08 -0.83 -2.21 0.00 0.00 174.62 171.64 1pi4 s GLY 317 N -2.46 0.13 0.00 6.08 0.00 -0.23 -4.10 107.32 106.74 1pi4 s GLY 317 Ca 0.30 -0.35 -0.18 0.00 0.00 0.00 0.00 44.72 44.49 1pi4 s GLY 317 CO 0.23 -0.47 0.38 0.00 0.00 0.00 0.00 173.10 173.24 1pi4 s ALA 318 N -1.64 -0.96 0.33 3.20 0.00 -1.26 -0.63 121.76 120.80 1pi4 s ALA 318 Ca -0.13 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.27 1pi4 s ALA 318 Cb -0.07 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 1pi4 s ALA 318 CO -0.00 -0.34 0.08 0.25 0.00 0.00 0.00 175.76 175.76 1pi4 n THR 319 N 0.97 0.00 -0.07 0.00 -2.24 -0.72 -3.89 114.28 108.34 1pi4 n THR 319 Ca -0.20 -1.81 0.08 0.00 -2.27 0.00 0.00 64.05 59.85 1pi4 n THR 319 Cb 0.57 0.58 0.45 0.00 -2.10 0.00 0.00 70.33 69.83 1pi4 n THR 319 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1pi4 h GLY 320 N 1.16 0.63 -0.68 3.38 0.00 -1.97 -3.13 103.07 102.46 1pi4 h GLY 320 Ca -0.26 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1pi4 h GLY 320 CO 0.42 0.16 0.00 0.61 0.00 0.00 0.00 176.54 177.72 1pi4 n GLY 321 N -1.49 1.90 3.08 4.60 0.00 -1.26 -4.50 105.19 107.51 1pi4 n GLY 321 Ca 0.08 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1pi4 n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pi4 s PHE 322 N -0.88 0.62 -0.04 1.61 0.40 -1.18 -2.08 117.98 116.43 1pi4 s PHE 322 Ca 0.12 -0.75 -0.01 0.00 -0.60 0.00 0.00 56.93 55.69 1pi4 s PHE 322 Cb 0.07 -0.39 0.03 0.00 0.51 0.00 0.00 43.02 43.24 1pi4 s PHE 322 CO 0.09 -0.19 0.04 0.20 0.70 0.00 0.00 175.22 176.06 1pi4 s GLY 323 N -2.26 0.24 0.17 4.36 0.00 -0.50 -1.76 107.32 107.57 1pi4 s GLY 323 Ca -0.01 0.15 0.08 0.00 0.00 0.00 0.00 44.72 44.94 1pi4 s GLY 323 CO -0.04 1.19 -0.18 -0.56 0.00 0.00 0.00 173.10 173.51 1pi4 s SER 324 N 1.89 2.68 -0.17 1.64 0.01 0.20 -1.40 113.70 118.55 1pi4 s SER 324 Ca 0.02 -0.87 -0.15 0.00 1.31 0.00 0.00 55.95 56.26 1pi4 s SER 324 Cb -0.12 -0.16 0.05 0.00 0.21 0.00 0.00 66.02 66.00 1pi4 s SER 324 CO -0.03 -0.04 0.45 -0.47 0.41 0.00 0.00 173.24 173.55 1pi4 s TYR 325 N -2.10 -0.52 -0.03 2.43 5.04 -0.29 -1.07 117.35 120.82 1pi4 s TYR 325 Ca 0.16 1.23 -0.01 0.00 -2.44 0.00 0.00 57.07 56.02 1pi4 s TYR 325 Cb -0.05 0.19 0.03 0.00 0.35 0.00 0.00 41.96 42.48 1pi4 s TYR 325 CO 0.07 -0.26 0.04 0.14 -1.34 0.00 0.00 175.55 174.20 1pi4 s VAL 326 N 0.42 -0.08 0.02 3.14 -7.23 -0.83 -0.68 120.40 115.15 1pi4 s VAL 326 Ca -0.01 0.30 0.00 0.00 -1.81 0.00 0.00 61.98 60.46 1pi4 s VAL 326 Cb -0.04 -0.11 -0.01 0.00 0.56 0.00 0.00 36.38 36.78 1pi4 s VAL 326 CO -0.02 0.12 -0.03 0.00 -0.31 0.00 0.00 175.10 174.87 1pi4 s ALA 327 N 1.49 0.17 0.09 1.32 0.00 -0.68 -1.26 121.76 122.90 1pi4 s ALA 327 Ca -0.04 -0.45 -0.17 0.00 0.00 0.00 0.00 51.96 51.30 1pi4 s ALA 327 Cb -0.13 0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.11 1pi4 s ALA 327 CO -0.03 -0.08 0.42 -0.59 0.00 0.00 0.00 175.76 175.47 1pi4 s PHE 328 N -1.01 -0.25 -0.32 0.00 -0.12 0.14 -0.54 117.98 115.90 1pi4 s PHE 328 Ca -0.10 0.05 0.01 0.00 -0.05 0.00 0.00 56.93 56.83 1pi4 s PHE 328 Cb -0.07 0.26 0.10 0.00 -0.63 0.00 0.00 43.02 42.68 1pi4 s PHE 328 CO -0.01 -0.66 0.08 0.42 -0.05 0.00 0.00 175.22 175.01 1pi4 s ILE 329 N -3.29 1.26 0.25 -4.49 1.01 -0.10 -0.96 121.20 114.89 1pi4 s ILE 329 Ca -0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 60.65 58.95 1pi4 s ILE 329 Cb 0.01 -1.95 0.23 0.00 0.01 0.00 0.00 42.46 40.76 1pi4 s ILE 329 CO -0.08 -0.65 1.70 -0.65 0.00 0.00 0.00 174.94 175.26 1pi4 h PRO 330 N 7.96 0.34 0.00 2.79 0.11 -1.71 -1.74 132.00 139.75 1pi4 h PRO 330 Ca -0.11 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1pi4 h PRO 330 Cb 1.02 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1pi4 h PRO 330 CO 0.48 0.23 0.00 1.05 -0.21 0.00 0.00 178.00 179.55 1pi4 h GLU 331 N 0.35 0.00 -0.02 1.05 4.11 -1.55 -2.21 114.58 116.31 1pi4 h GLU 331 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.86 1pi4 h GLU 331 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1pi4 h GLU 331 CO -0.47 0.00 -0.14 1.63 0.07 0.00 0.00 179.01 180.10 1pi4 n LYS 332 N -2.44 1.63 -3.01 1.06 4.76 -0.69 -4.97 118.16 114.49 1pi4 n LYS 332 Ca 0.01 -1.36 -0.22 0.00 -2.87 0.00 0.00 58.31 53.88 1pi4 n LYS 332 Cb 0.23 -1.36 0.02 0.00 -1.84 0.00 0.00 35.03 32.08 1pi4 n LYS 332 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1pi4 n GLU 333 N 0.65 -3.94 -4.42 1.97 -0.58 -0.83 -4.60 120.64 108.88 1pi4 n GLU 333 Ca 0.10 0.76 -0.30 0.00 -0.42 0.00 0.00 57.16 57.30 1pi4 n GLU 333 Cb 0.45 -5.54 -0.12 0.00 -0.57 0.00 0.00 31.44 25.65 1pi4 n GLU 333 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1pi4 s LEU 334 N -6.48 2.59 0.19 -4.62 1.43 -1.18 -2.58 118.68 108.03 1pi4 s LEU 334 Ca 0.28 -0.57 -0.23 0.00 -1.03 0.00 0.00 54.13 52.58 1pi4 s LEU 334 Cb -0.13 -1.47 0.05 0.00 0.03 0.00 0.00 46.19 44.67 1pi4 s LEU 334 CO 0.34 0.20 0.76 -0.83 0.23 0.00 0.00 176.35 177.05 1pi4 s GLY 335 N -1.94 -0.29 -0.06 -3.19 0.00 -0.42 -0.92 107.32 100.50 1pi4 s GLY 335 Ca 0.16 0.13 -0.12 0.00 0.00 0.00 0.00 44.72 44.90 1pi4 s GLY 335 CO 0.08 0.04 0.28 -1.50 0.00 0.00 0.00 173.10 172.00 1pi4 s ILE 336 N -3.65 0.04 -0.06 0.90 2.07 0.30 -0.52 121.20 120.28 1pi4 s ILE 336 Ca 0.08 -0.29 0.03 0.00 -1.41 0.00 0.00 60.65 59.06 1pi4 s ILE 336 Cb -0.03 -0.50 0.01 0.00 0.13 0.00 0.00 42.46 42.07 1pi4 s ILE 336 CO -0.01 -0.16 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.02 1pi4 s VAL 337 N -0.67 1.31 -0.15 4.00 1.01 -0.27 -1.68 120.40 123.95 1pi4 s VAL 337 Ca -0.08 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 1pi4 s VAL 337 Cb -0.04 -1.16 0.03 0.00 0.00 0.00 0.00 36.38 35.20 1pi4 s VAL 337 CO 0.02 0.39 -0.10 -0.04 0.00 0.00 0.00 175.10 175.38 1pi4 s MET 338 N 0.42 1.82 -0.11 2.72 -1.94 0.14 -1.17 119.30 121.19 1pi4 s MET 338 Ca -0.11 -0.49 0.04 0.00 -1.71 0.00 0.00 55.69 53.41 1pi4 s MET 338 Cb -0.14 -1.96 0.00 0.00 2.01 0.00 0.00 34.83 34.73 1pi4 s MET 338 CO 0.04 -0.32 -0.23 -0.51 -0.01 0.00 0.00 175.02 173.99 1pi4 s LEU 339 N 1.58 2.11 0.03 -0.03 1.43 0.11 -1.13 118.68 122.77 1pi4 s LEU 339 Ca 0.03 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1pi4 s LEU 339 Cb -0.14 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 1pi4 s LEU 339 CO -0.09 0.15 -0.06 0.00 0.23 0.00 0.00 176.35 176.58 1pi4 s ALA 340 N 0.42 0.41 -0.59 4.21 0.00 -0.49 -0.68 121.76 125.04 1pi4 s ALA 340 Ca -0.17 -0.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 1pi4 s ALA 340 Cb -0.18 0.05 0.36 0.00 0.00 0.00 0.00 23.12 23.35 1pi4 s ALA 340 CO 0.07 -0.04 2.07 0.27 0.00 0.00 0.00 175.76 178.13 1pi4 n ASN 341 N 1.79 7.32 -3.75 0.00 6.94 -1.03 -1.40 115.26 125.12 1pi4 n ASN 341 Ca -0.21 -3.58 -0.13 0.00 -0.02 0.00 0.00 54.58 50.64 1pi4 n ASN 341 Cb 0.55 -1.02 -0.11 0.00 -2.36 0.00 0.00 39.78 36.85 1pi4 n ASN 341 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1pi4 s LYS 342 N -3.23 0.40 -0.88 -3.83 2.20 -0.88 -1.58 119.74 111.94 1pi4 s LYS 342 Ca 0.55 0.51 -0.21 0.00 -0.36 0.00 0.00 55.97 56.46 1pi4 s LYS 342 Cb 0.43 0.16 0.09 0.00 -1.51 0.00 0.00 37.83 37.00 1pi4 s LYS 342 CO -0.06 -0.06 1.19 1.21 -0.36 0.00 0.00 175.35 177.26 1pi4 s ASN 343 N 0.34 6.46 0.24 1.43 2.47 -1.26 -2.36 114.94 122.27 1pi4 s ASN 343 Ca -0.01 -1.55 0.06 0.00 0.42 0.00 0.00 52.86 51.78 1pi4 s ASN 343 Cb -0.03 -2.46 -0.03 0.00 -1.45 0.00 0.00 41.25 37.28 1pi4 s ASN 343 CO -0.01 -1.32 0.30 -0.72 -3.72 0.00 0.00 177.10 171.63 1pi4 s TYR 344 N 3.79 3.32 0.05 0.43 1.13 -1.26 -4.95 117.35 119.86 1pi4 s TYR 344 Ca 0.34 -0.05 -0.38 0.00 -1.41 0.00 0.00 57.07 55.57 1pi4 s TYR 344 Cb -0.06 -1.51 -0.18 0.00 -1.10 0.00 0.00 41.96 39.11 1pi4 s TYR 344 CO -0.04 0.47 1.20 -2.30 -2.51 0.00 0.00 175.55 172.38 1pi4 n PRO 345 N -1.32 0.63 -0.31 -3.49 -0.02 -1.26 -4.90 135.00 124.34 1pi4 n PRO 345 Ca -0.09 0.23 0.01 0.00 -2.02 0.00 0.00 63.50 61.63 1pi4 n PRO 345 Cb 0.57 -1.79 0.15 0.00 -0.02 0.00 0.00 33.50 32.41 1pi4 n PRO 345 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1pi4 h ASN 346 N 3.78 0.81 -0.66 2.55 2.35 -1.96 -2.25 115.58 120.21 1pi4 h ASN 346 Ca -0.49 0.02 0.09 0.00 -0.55 0.00 0.00 56.30 55.38 1pi4 h ASN 346 Cb 1.38 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 39.56 1pi4 h ASN 346 CO 0.72 0.51 0.44 -0.65 -1.65 0.00 0.00 177.43 176.79 1pi4 h PRO 347 N 0.94 0.51 -0.09 0.81 0.11 -1.91 0.04 132.00 132.40 1pi4 h PRO 347 Ca 0.38 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.38 1pi4 h PRO 347 Cb 0.22 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1pi4 h PRO 347 CO -0.19 0.34 -0.30 0.00 -0.21 0.00 0.00 178.00 177.63 1pi4 h ALA 348 N 1.66 1.32 -0.17 -0.75 0.00 -1.77 -0.49 119.26 119.06 1pi4 h ALA 348 Ca 0.30 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1pi4 h ALA 348 Cb 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1pi4 h ALA 348 CO -0.09 0.47 -0.01 0.00 0.00 0.00 0.00 179.25 179.62 1pi4 h ARG 349 N 0.16 0.31 -0.44 0.00 3.08 -0.93 -2.34 114.38 114.21 1pi4 h ARG 349 Ca 0.02 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1pi4 h ARG 349 Cb 0.62 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1pi4 h ARG 349 CO 0.05 0.54 0.20 0.28 -1.07 0.00 0.00 179.97 179.96 1pi4 h VAL 350 N 0.04 1.19 -0.47 2.04 2.07 -1.16 -0.93 116.25 119.03 1pi4 h VAL 350 Ca 0.05 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.05 1pi4 h VAL 350 Cb 0.41 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1pi4 h VAL 350 CO 0.01 0.21 0.23 0.44 0.02 0.00 0.00 177.57 178.49 1pi4 h ASP 351 N 0.56 0.34 -0.34 0.57 3.32 -1.08 0.35 116.42 120.14 1pi4 h ASP 351 Ca 0.15 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 1pi4 h ASP 351 Cb 0.15 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1pi4 h ASP 351 CO -0.02 0.24 -0.05 0.00 -1.72 0.00 0.00 179.24 177.69 1pi4 h ALA 352 N 1.25 0.46 -0.58 3.45 0.00 -1.20 -1.12 119.26 121.53 1pi4 h ALA 352 Ca 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1pi4 h ALA 352 Cb 0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1pi4 h ALA 352 CO -0.15 0.27 0.33 0.00 0.00 0.00 0.00 179.25 179.71 1pi4 h ALA 353 N 0.82 0.74 -0.45 0.00 0.00 -0.96 -1.80 119.26 117.61 1pi4 h ALA 353 Ca 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1pi4 h ALA 353 Cb 0.54 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1pi4 h ALA 353 CO 0.03 0.24 0.12 2.35 0.00 0.00 0.00 179.25 181.99 1pi4 h TRP 354 N 0.78 0.76 -0.70 0.00 7.01 -0.86 -0.42 115.95 122.52 1pi4 h TRP 354 Ca 0.20 -0.09 0.08 0.00 2.11 0.00 0.00 58.89 61.19 1pi4 h TRP 354 Cb 0.02 -0.21 -0.06 0.00 -2.10 0.00 0.00 29.16 26.80 1pi4 h TRP 354 CO -0.02 0.69 0.37 0.37 -2.79 0.00 0.00 178.44 177.06 1pi4 h GLN 355 N 0.60 0.64 0.06 2.65 4.15 -0.93 0.18 115.11 122.46 1pi4 h GLN 355 Ca 0.14 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 1pi4 h GLN 355 Cb 0.31 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1pi4 h GLN 355 CO 0.00 0.42 -0.03 0.82 -1.93 0.00 0.00 178.83 178.11 1pi4 h ILE 356 N 0.65 1.24 -0.45 2.39 2.04 -1.08 -2.76 117.51 119.54 1pi4 h ILE 356 Ca 0.33 -1.12 -0.09 0.00 1.00 0.00 0.00 64.86 64.99 1pi4 h ILE 356 Cb 0.28 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 1pi4 h ILE 356 CO -0.23 0.27 -0.08 -0.07 0.00 0.00 0.00 178.15 178.05 1pi4 h LEU 357 N -0.59 0.77 -1.09 1.44 3.38 -0.95 -2.73 115.31 115.54 1pi4 h LEU 357 Ca -0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1pi4 h LEU 357 Cb 0.51 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1pi4 h LEU 357 CO 0.01 0.89 0.39 -1.13 0.09 0.00 0.00 178.44 178.68 1pi4 h ASN 358 N 0.72 0.92 0.37 -0.43 -0.73 -0.72 -0.43 115.58 115.28 1pi4 h ASN 358 Ca 0.13 -0.08 -0.09 0.00 1.87 0.00 0.00 56.30 58.13 1pi4 h ASN 358 Cb 0.55 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.89 1pi4 h ASN 358 CO 0.03 0.75 -0.40 0.00 -0.37 0.00 0.00 177.43 177.44 1pi4 h ALA 359 N 1.40 1.29 0.00 1.57 0.00 -1.20 -3.23 119.26 119.08 1pi4 h ALA 359 Ca 0.26 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1pi4 h ALA 359 Cb 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1pi4 h ALA 359 CO -0.04 0.52 -1.03 1.28 0.00 0.00 0.00 179.25 179.99 1pi4 n LEU 360 N -4.05 0.67 0.00 0.00 4.77 -0.89 -5.12 117.00 112.37 1pi4 n LEU 360 Ca -0.02 -0.17 0.08 0.00 -0.03 0.00 0.00 56.01 55.87 1pi4 n LEU 360 Cb 0.44 -0.08 0.50 0.00 -2.33 0.00 0.00 43.42 41.95 1pi4 n LEU 360 CO 0.40 0.12 0.70 0.00 -1.33 0.00 0.00 177.39 177.28