#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pw4 s LYS 6 N 0.00 0.64 0.12 -1.08 0.00 -1.26 -4.87 119.74 113.29 1pw4 s LYS 6 Ca 0.00 0.55 -0.19 0.00 0.00 0.00 0.00 55.97 56.33 1pw4 s LYS 6 Cb 0.00 0.31 -0.11 0.00 0.00 0.00 0.00 37.83 38.02 1pw4 s LYS 6 CO 0.00 -0.11 0.37 -2.30 0.00 0.00 0.00 175.35 173.31 1pw4 n PRO 7 N 2.44 0.00 -3.61 1.78 -0.02 -1.26 -4.97 135.00 129.36 1pw4 n PRO 7 Ca -0.15 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.31 1pw4 n PRO 7 Cb 0.56 -0.68 -0.05 0.00 -0.02 0.00 0.00 33.50 33.31 1pw4 n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pw4 s ALA 8 N -0.60 -1.85 -0.11 3.55 0.00 -1.26 -4.99 121.76 116.50 1pw4 s ALA 8 Ca 0.43 2.10 -0.03 0.00 0.00 0.00 0.00 51.96 54.47 1pw4 s ALA 8 Cb -0.63 -1.70 -0.01 0.00 0.00 0.00 0.00 23.12 20.78 1pw4 s ALA 8 CO 0.37 -0.92 -0.06 -1.00 0.00 0.00 0.00 175.76 174.14 1pw4 h PRO 9 N 8.04 0.00 -1.00 0.00 0.13 -2.01 -3.47 132.00 133.69 1pw4 h PRO 9 Ca -0.18 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.62 1pw4 h PRO 9 Cb 1.11 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.12 1pw4 h PRO 9 CO 0.12 0.00 -0.32 -2.39 -0.23 0.00 0.00 178.00 175.18 1pw4 n HIS 10 N -4.67 -0.12 -1.89 1.56 1.44 -1.26 -4.94 115.22 105.33 1pw4 n HIS 10 Ca -0.02 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.29 1pw4 n HIS 10 Cb 0.09 -2.87 0.01 0.00 0.12 0.00 0.00 29.99 27.34 1pw4 n HIS 10 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 1pw4 s LYS 11 N -3.58 3.83 -0.22 -1.40 -2.85 -1.26 -4.96 119.74 109.30 1pw4 s LYS 11 Ca 0.00 2.34 -0.10 0.00 -1.00 0.00 0.00 55.97 57.21 1pw4 s LYS 11 Cb 0.00 -2.72 0.09 0.00 -2.06 0.00 0.00 37.83 33.13 1pw4 s LYS 11 CO 0.00 -0.67 0.50 0.00 0.10 0.00 0.00 175.35 175.28 1pw4 s ALA 12 N -1.21 -1.40 -0.25 0.59 0.00 -1.15 -5.02 121.76 113.32 1pw4 s ALA 12 Ca 0.59 1.81 -0.22 0.00 0.00 0.00 0.00 51.96 54.14 1pw4 s ALA 12 Cb -0.42 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 1pw4 s ALA 12 CO 0.54 -0.59 0.69 0.50 0.00 0.00 0.00 175.76 176.90 1pw4 s ARG 13 N 2.18 4.13 -0.16 0.00 3.52 -1.26 -4.41 118.95 122.94 1pw4 s ARG 13 Ca -0.06 0.67 0.14 0.00 -0.13 0.00 0.00 55.73 56.35 1pw4 s ARG 13 Cb -0.10 -3.65 0.41 0.00 -1.56 0.00 0.00 34.95 30.05 1pw4 s ARG 13 CO -0.15 -0.44 1.20 -0.11 -0.81 0.00 0.00 175.30 174.99 1pw4 n LEU 14 N 5.79 2.33 0.00 -0.88 7.94 -1.26 -4.98 117.00 125.94 1pw4 n LEU 14 Ca 0.01 -3.46 0.00 0.00 -1.11 0.00 0.00 56.01 51.45 1pw4 n LEU 14 Cb 0.48 -0.42 0.00 0.00 0.53 0.00 0.00 43.42 44.02 1pw4 n LEU 14 CO 0.44 1.19 0.09 -2.65 -1.11 0.00 0.00 177.39 175.35 1pw4 n PRO 15 N -0.81 0.00 -3.44 1.96 -0.02 -1.26 -4.81 135.00 126.63 1pw4 n PRO 15 Ca 0.16 0.18 -0.20 0.00 -2.02 0.00 0.00 63.50 61.62 1pw4 n PRO 15 Cb 0.78 -0.27 0.07 0.00 -0.02 0.00 0.00 33.50 34.06 1pw4 n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pw4 n ALA 16 N -2.15 -1.22 -2.67 3.55 0.00 -1.26 -4.22 120.51 112.54 1pw4 n ALA 16 Ca 0.00 0.31 -0.02 0.00 0.00 0.00 0.00 53.44 53.73 1pw4 n ALA 16 Cb 0.00 -4.58 0.00 0.00 0.00 0.00 0.00 19.45 14.87 1pw4 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pw4 n ALA 17 N -4.58 -3.34 -0.84 0.00 0.00 -1.26 -4.75 120.51 105.73 1pw4 n ALA 17 Ca -0.02 0.65 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1pw4 n ALA 17 Cb 0.56 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1pw4 n ALA 17 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1pw4 n GLU 18 N 0.38 0.00 0.03 0.00 1.02 -1.26 -4.98 120.64 115.83 1pw4 n GLU 18 Ca 0.03 0.07 -0.03 0.00 -0.02 0.00 0.00 57.16 57.21 1pw4 n GLU 18 Cb 0.13 -0.84 -0.09 0.00 -0.02 0.00 0.00 31.44 30.61 1pw4 n GLU 18 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1pw4 h ILE 19 N 0.00 0.74 -0.39 -3.67 1.08 -1.86 -3.35 117.51 110.06 1pw4 h ILE 19 Ca 0.00 -2.33 0.07 0.00 -0.39 0.00 0.00 64.86 62.20 1pw4 h ILE 19 Cb 0.56 2.25 -0.09 0.00 -3.07 0.00 0.00 36.82 36.48 1pw4 h ILE 19 CO 0.00 0.42 -0.45 0.44 -0.69 0.00 0.00 178.15 177.88 1pw4 h ASP 20 N 0.00 -1.48 -0.75 1.72 3.32 -1.93 -0.51 116.42 116.79 1pw4 h ASP 20 Ca -0.16 0.22 0.15 0.00 0.02 0.00 0.00 57.03 57.25 1pw4 h ASP 20 Cb 1.69 0.64 -0.10 0.00 0.22 0.00 0.00 39.33 41.78 1pw4 h ASP 20 CO 0.06 -0.38 0.27 -0.65 -1.72 0.00 0.00 179.24 176.82 1pw4 h PRO 21 N -0.35 0.38 0.00 3.56 0.11 -1.98 0.42 132.00 134.13 1pw4 h PRO 21 Ca 0.13 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1pw4 h PRO 21 Cb 0.59 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1pw4 h PRO 21 CO -0.57 0.25 0.00 0.25 -0.21 0.00 0.00 178.00 177.72 1pw4 n THR 22 N -5.05 0.18 -0.06 -1.15 -2.24 -0.64 -3.07 114.28 102.26 1pw4 n THR 22 Ca 0.14 0.05 -0.19 0.00 -2.27 0.00 0.00 64.05 61.78 1pw4 n THR 22 Cb 0.43 -0.64 -0.13 0.00 -2.10 0.00 0.00 70.33 67.90 1pw4 n THR 22 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1pw4 h TYR 23 N 0.00 0.11 -0.63 4.78 -0.00 0.14 -1.96 116.97 119.41 1pw4 h TYR 23 Ca 0.00 -0.08 0.13 0.00 -0.00 0.00 0.00 58.73 58.78 1pw4 h TYR 23 Cb 0.20 -0.00 -0.11 0.00 -0.00 0.00 0.00 36.73 36.82 1pw4 h TYR 23 CO 0.00 1.32 -0.02 0.00 -0.00 0.00 0.00 178.16 179.46 1pw4 h ARG 24 N -0.84 0.09 -0.20 1.82 3.08 -1.24 0.14 114.38 117.23 1pw4 h ARG 24 Ca -0.21 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 59.69 1pw4 h ARG 24 Cb 1.30 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1pw4 h ARG 24 CO -0.07 0.06 -0.46 0.00 -1.07 0.00 0.00 179.97 178.43 1pw4 h ARG 25 N 0.09 0.67 0.00 0.04 3.08 -1.66 -1.30 114.38 115.30 1pw4 h ARG 25 Ca 0.32 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1pw4 h ARG 25 Cb 0.53 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1pw4 h ARG 25 CO -0.56 1.07 0.00 -0.07 -1.07 0.00 0.00 179.97 179.34 1pw4 h LEU 26 N 0.36 0.00 0.02 3.04 -0.00 -0.46 0.30 115.31 118.57 1pw4 h LEU 26 Ca -0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.88 57.49 1pw4 h LEU 26 Cb 1.07 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.67 1pw4 h LEU 26 CO 0.10 0.00 -2.25 0.54 -0.00 0.00 0.00 178.44 176.84 1pw4 n ARG 27 N -2.36 0.63 0.22 1.13 1.74 0.37 -2.99 116.66 115.40 1pw4 n ARG 27 Ca -0.01 0.27 0.05 0.00 -0.77 0.00 0.00 57.85 57.40 1pw4 n ARG 27 Cb 0.10 -1.57 0.47 0.00 -1.02 0.00 0.00 32.46 30.44 1pw4 n ARG 27 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 1pw4 h TRP 28 N -0.51 0.00 0.37 -1.55 7.01 -1.04 -2.55 115.95 117.68 1pw4 h TRP 28 Ca -0.57 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.41 1pw4 h TRP 28 Cb 1.72 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.79 1pw4 h TRP 28 CO 0.00 0.23 -0.18 0.37 -2.79 0.00 0.00 178.44 176.08 1pw4 h GLN 29 N 0.00 -0.48 -0.70 2.65 4.15 -0.56 -3.34 115.11 116.83 1pw4 h GLN 29 Ca -0.00 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.52 1pw4 h GLN 29 Cb 0.41 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 28.15 1pw4 h GLN 29 CO 0.03 -0.32 0.38 0.97 -1.93 0.00 0.00 178.83 177.96 1pw4 h ILE 30 N -0.70 0.94 -0.53 2.39 2.10 -1.52 -3.04 117.51 117.15 1pw4 h ILE 30 Ca -0.05 -0.23 0.11 0.00 1.08 0.00 0.00 64.86 65.76 1pw4 h ILE 30 Cb 0.38 0.20 -0.11 0.00 -1.09 0.00 0.00 36.82 36.20 1pw4 h ILE 30 CO 0.08 0.12 -0.23 0.15 -1.08 0.00 0.00 178.15 177.20 1pw4 h PHE 31 N 0.68 -0.57 -0.67 2.19 -0.00 -1.60 0.19 116.94 117.17 1pw4 h PHE 31 Ca 0.32 0.06 0.01 0.00 -0.00 0.00 0.00 57.97 58.35 1pw4 h PHE 31 Cb 0.24 0.33 -0.03 0.00 -0.00 0.00 0.00 35.95 36.49 1pw4 h PHE 31 CO -0.08 -0.31 0.44 -0.07 -0.00 0.00 0.00 178.31 178.29 1pw4 h LEU 32 N -0.10 0.77 0.00 0.59 4.07 -1.65 -1.86 115.31 117.13 1pw4 h LEU 32 Ca 0.24 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1pw4 h LEU 32 Cb 0.48 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.03 1pw4 h LEU 32 CO -0.60 0.56 0.00 0.61 -1.08 0.00 0.00 178.44 177.93 1pw4 n GLY 33 N -1.42 -3.22 0.35 0.83 0.00 0.65 -0.82 105.19 101.55 1pw4 n GLY 33 Ca 0.07 0.45 0.06 0.00 0.00 0.00 0.00 46.02 46.60 1pw4 n GLY 33 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1pw4 h ILE 34 N 0.00 1.03 0.12 -0.61 3.07 -1.50 0.92 117.51 120.55 1pw4 h ILE 34 Ca 0.00 -0.25 -0.01 0.00 1.55 0.00 0.00 64.86 66.15 1pw4 h ILE 34 Cb 0.00 0.23 0.00 0.00 -0.27 0.00 0.00 36.82 36.78 1pw4 h ILE 34 CO 0.00 0.13 -0.06 0.15 -1.05 0.00 0.00 178.15 177.32 1pw4 h PHE 35 N 0.74 -0.15 0.00 0.16 3.57 -1.16 0.55 116.94 120.63 1pw4 h PHE 35 Ca 0.29 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.65 1pw4 h PHE 35 Cb 0.22 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1pw4 h PHE 35 CO -0.00 -0.04 -0.66 0.74 -2.23 0.00 0.00 178.31 176.13 1pw4 h PHE 36 N -0.24 0.00 0.55 0.41 -1.00 -0.69 0.72 116.94 116.69 1pw4 h PHE 36 Ca -0.02 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.74 1pw4 h PHE 36 Cb 0.19 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.75 1pw4 h PHE 36 CO -0.05 0.66 -0.26 0.78 -1.61 0.00 0.00 178.31 177.83 1pw4 h GLY 37 N 2.49 -0.77 0.73 -1.45 0.00 0.11 -0.78 103.07 103.40 1pw4 h GLY 37 Ca -0.01 0.29 0.04 0.00 0.00 0.00 0.00 47.33 47.65 1pw4 h GLY 37 CO 0.09 -0.28 0.18 -1.82 0.00 0.00 0.00 176.54 174.71 1pw4 h TYR 38 N -0.82 0.33 -0.80 5.60 3.20 0.21 -2.02 116.97 122.67 1pw4 h TYR 38 Ca -0.08 0.02 0.15 0.00 3.14 0.00 0.00 58.73 61.97 1pw4 h TYR 38 Cb 0.60 -0.09 -0.10 0.00 1.54 0.00 0.00 36.73 38.68 1pw4 h TYR 38 CO -0.02 0.16 0.34 0.00 -1.64 0.00 0.00 178.16 177.00 1pw4 h ALA 39 N 1.24 1.16 -0.74 1.82 0.00 -0.69 -1.74 119.26 120.30 1pw4 h ALA 39 Ca 0.18 0.12 0.20 0.00 0.00 0.00 0.00 54.91 55.40 1pw4 h ALA 39 Cb 0.12 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1pw4 h ALA 39 CO -0.15 -0.20 0.52 0.00 0.00 0.00 0.00 179.25 179.42 1pw4 h ALA 40 N 1.58 2.54 -0.94 0.00 0.00 -0.36 -1.73 119.26 120.33 1pw4 h ALA 40 Ca 0.45 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.38 1pw4 h ALA 40 Cb 0.70 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 1pw4 h ALA 40 CO -0.42 -0.75 0.61 1.88 0.00 0.00 0.00 179.25 180.58 1pw4 h TYR 41 N 0.11 1.14 0.00 0.00 -1.99 -1.37 -2.56 116.97 112.29 1pw4 h TYR 41 Ca 0.36 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.12 1pw4 h TYR 41 Cb 1.26 -0.38 0.00 0.00 2.00 0.00 0.00 36.73 39.61 1pw4 h TYR 41 CO -0.00 0.64 0.00 1.88 -0.00 0.00 0.00 178.16 180.68 1pw4 h TYR 42 N 1.17 0.00 -0.34 4.88 0.99 -1.45 -1.10 116.97 121.11 1pw4 h TYR 42 Ca 0.38 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.98 1pw4 h TYR 42 Cb 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.76 1pw4 h TYR 42 CO -0.01 0.00 -0.31 -0.07 -0.00 0.00 0.00 178.16 177.76 1pw4 h LEU 43 N 0.00 0.78 -1.24 3.88 3.38 -1.58 -3.22 115.31 117.30 1pw4 h LEU 43 Ca 0.00 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 1pw4 h LEU 43 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1pw4 h LEU 43 CO 0.00 1.03 -0.32 0.58 0.09 0.00 0.00 178.44 179.82 1pw4 h VAL 44 N 0.63 1.25 0.13 1.22 2.07 -1.32 -3.31 116.25 116.93 1pw4 h VAL 44 Ca 0.07 -1.19 -0.29 0.00 0.82 0.00 0.00 66.70 66.11 1pw4 h VAL 44 Cb 0.84 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1pw4 h VAL 44 CO 0.07 0.35 -1.40 0.03 0.02 0.00 0.00 177.57 176.64 1pw4 h ARG 45 N 0.09 0.28 -2.21 1.57 3.08 -1.61 -3.35 114.38 112.23 1pw4 h ARG 45 Ca 0.01 -0.48 -0.59 0.00 0.07 0.00 0.00 59.98 58.99 1pw4 h ARG 45 Cb 0.62 0.18 -0.41 0.00 0.08 0.00 0.00 29.97 30.43 1pw4 h ARG 45 CO 0.04 1.18 -0.69 1.63 -1.07 0.00 0.00 179.97 181.07 1pw4 n LYS 46 N -3.50 2.15 -0.02 0.04 4.76 -1.22 -4.21 118.16 116.15 1pw4 n LYS 46 Ca -0.13 -4.39 -0.22 0.00 -2.87 0.00 0.00 58.31 50.70 1pw4 n LYS 46 Cb 1.04 -2.07 -0.13 0.00 -1.84 0.00 0.00 35.03 32.03 1pw4 n LYS 46 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 1pw4 h ASN 47 N 4.23 0.31 -0.73 4.39 2.35 -1.75 -3.37 115.58 121.01 1pw4 h ASN 47 Ca 0.18 -0.83 -0.06 0.00 -0.55 0.00 0.00 56.30 55.04 1pw4 h ASN 47 Cb 0.71 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.94 1pw4 h ASN 47 CO 0.76 1.75 0.24 0.15 -1.65 0.00 0.00 177.43 178.68 1pw4 h PHE 48 N -0.23 1.18 -0.47 1.19 3.57 -1.85 -1.64 116.94 118.68 1pw4 h PHE 48 Ca -0.40 -0.11 0.10 0.00 3.53 0.00 0.00 57.97 61.08 1pw4 h PHE 48 Cb 1.83 -0.34 -0.10 0.00 2.79 0.00 0.00 35.95 40.13 1pw4 h PHE 48 CO 0.09 0.93 -0.23 0.00 -2.23 0.00 0.00 178.31 176.86 1pw4 h ALA 49 N 1.15 0.09 0.00 2.41 0.00 -1.84 0.46 119.26 121.54 1pw4 h ALA 49 Ca 0.24 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 1pw4 h ALA 49 Cb 0.30 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1pw4 h ALA 49 CO -0.01 -0.58 -0.01 -0.07 0.00 0.00 0.00 179.25 178.58 1pw4 h LEU 50 N -0.13 0.00 -0.12 0.00 3.38 -1.51 -2.62 115.31 114.31 1pw4 h LEU 50 Ca 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1pw4 h LEU 50 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1pw4 h LEU 50 CO -0.56 0.01 0.03 0.00 0.09 0.00 0.00 178.44 178.02 1pw4 h ALA 51 N 1.99 0.16 -1.00 1.53 0.00 0.77 -3.32 119.26 119.39 1pw4 h ALA 51 Ca -0.00 -0.13 0.21 0.00 0.00 0.00 0.00 54.91 54.99 1pw4 h ALA 51 Cb 0.03 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.67 1pw4 h ALA 51 CO 0.00 -0.21 0.62 0.52 0.00 0.00 0.00 179.25 180.18 1pw4 h MET 52 N 0.00 0.61 -0.07 0.00 2.86 -0.90 2.34 114.93 119.77 1pw4 h MET 52 Ca 0.04 -0.04 -0.18 0.00 -2.06 0.00 0.00 59.70 57.47 1pw4 h MET 52 Cb 0.25 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 31.78 1pw4 h MET 52 CO 0.00 0.40 -0.65 -1.00 1.06 0.00 0.00 176.91 176.73 1pw4 h PRO 53 N 0.63 0.56 0.36 -0.22 0.13 -1.69 -3.31 132.00 128.45 1pw4 h PRO 53 Ca 0.57 -0.51 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 1pw4 h PRO 53 Cb 1.08 0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1pw4 h PRO 53 CO -0.35 1.14 -0.21 1.88 -0.23 0.00 0.00 178.00 180.23 1pw4 h TYR 54 N 0.16 -0.56 -3.48 1.56 0.99 -1.47 -3.39 116.97 110.78 1pw4 h TYR 54 Ca -0.06 -0.01 -0.57 0.00 2.00 0.00 0.00 58.73 60.09 1pw4 h TYR 54 Cb 1.31 0.20 0.17 0.00 1.00 0.00 0.00 36.73 39.41 1pw4 h TYR 54 CO 0.12 -0.32 -0.01 -0.11 -0.00 0.00 0.00 178.16 177.83 1pw4 n LEU 55 N -3.59 2.97 -1.55 3.88 0.00 0.78 -3.33 117.00 116.16 1pw4 n LEU 55 Ca -0.07 0.75 -0.13 0.00 0.00 0.00 0.00 56.01 56.56 1pw4 n LEU 55 Cb 0.22 -1.34 -0.00 0.00 0.00 0.00 0.00 43.42 42.29 1pw4 n LEU 55 CO 0.15 -2.21 -0.16 1.33 0.00 0.00 0.00 177.39 176.50 1pw4 n VAL 56 N -1.92 -0.67 -0.15 1.96 0.24 -1.26 -4.55 118.33 111.97 1pw4 n VAL 56 Ca 0.13 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.34 1pw4 n VAL 56 Cb 0.48 -2.12 -0.00 0.00 -1.47 0.00 0.00 33.84 30.73 1pw4 n VAL 56 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1pw4 h GLU 57 N -0.04 0.70 -6.61 7.34 5.08 -1.74 -3.41 114.58 115.89 1pw4 h GLU 57 Ca -0.32 -0.15 -0.59 0.00 -1.00 0.00 0.00 59.36 57.30 1pw4 h GLU 57 Cb 1.24 -0.10 0.11 0.00 0.50 0.00 0.00 28.75 30.50 1pw4 h GLU 57 CO 0.38 0.67 0.28 1.04 -1.00 0.00 0.00 179.01 180.38 1pw4 n GLN 58 N -4.55 1.66 0.00 2.33 6.02 -1.26 -4.78 117.38 116.79 1pw4 n GLN 58 Ca 0.01 0.58 0.00 0.00 -0.01 0.00 0.00 57.00 57.58 1pw4 n GLN 58 Cb 0.19 -2.06 0.00 0.00 1.02 0.00 0.00 30.24 29.38 1pw4 n GLN 58 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pw4 n GLY 59 N 1.04 -0.06 0.00 1.08 0.00 -1.26 -3.75 105.19 102.23 1pw4 n GLY 59 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1pw4 n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pw4 n PHE 60 N -0.85 0.00 -1.65 1.61 3.01 -1.26 -4.57 117.46 113.74 1pw4 n PHE 60 Ca 0.00 0.00 -0.49 0.00 1.01 0.00 0.00 57.45 57.97 1pw4 n PHE 60 Cb 0.15 -0.42 -0.05 0.00 -0.01 0.00 0.00 39.48 39.15 1pw4 n PHE 60 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1pw4 n SER 61 N -2.77 2.69 -0.09 4.37 3.41 -1.25 -4.88 113.62 115.11 1pw4 n SER 61 Ca 0.00 1.08 -0.15 0.00 -0.26 0.00 0.00 58.87 59.54 1pw4 n SER 61 Cb 0.00 -1.33 -0.07 0.00 -0.26 0.00 0.00 64.21 62.54 1pw4 n SER 61 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pw4 n ARG 62 N 3.76 0.41 0.00 4.33 1.74 -1.26 -4.87 116.66 120.76 1pw4 n ARG 62 Ca 0.19 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1pw4 n ARG 62 Cb 0.25 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 1pw4 n ARG 62 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pw4 n GLY 63 N 2.40 -0.74 0.22 -0.13 0.00 -1.26 -4.64 105.19 101.04 1pw4 n GLY 63 Ca -0.32 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 1pw4 n GLY 63 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1pw4 h ASP 64 N 0.00 0.74 -1.16 1.61 3.58 -1.89 -3.14 116.42 116.15 1pw4 h ASP 64 Ca 0.00 -0.34 0.34 0.00 0.42 0.00 0.00 57.03 57.45 1pw4 h ASP 64 Cb 0.00 -0.20 -0.11 0.00 1.72 0.00 0.00 39.33 40.74 1pw4 h ASP 64 CO 0.00 0.90 0.74 -0.07 -2.88 0.00 0.00 179.24 177.94 1pw4 h LEU 65 N 0.56 0.35 -1.10 2.28 3.38 -1.92 1.81 115.31 120.66 1pw4 h LEU 65 Ca 0.11 0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.30 1pw4 h LEU 65 Cb 0.56 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.30 1pw4 h LEU 65 CO 0.03 -0.05 0.61 1.23 0.09 0.00 0.00 178.44 180.36 1pw4 h GLY 66 N 0.25 1.48 0.99 0.83 0.00 -1.77 0.47 103.07 105.31 1pw4 h GLY 66 Ca 0.70 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 1pw4 h GLY 66 CO -0.36 0.17 0.33 -2.75 0.00 0.00 0.00 176.54 173.92 1pw4 h PHE 67 N 0.93 0.83 0.04 5.60 3.57 0.26 0.59 116.94 128.76 1pw4 h PHE 67 Ca 0.47 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.95 1pw4 h PHE 67 Cb 0.49 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1pw4 h PHE 67 CO -0.00 0.60 -0.07 0.00 -2.23 0.00 0.00 178.31 176.61 1pw4 h ALA 68 N 1.15 -0.10 -0.94 2.41 0.00 0.02 -1.21 119.26 120.60 1pw4 h ALA 68 Ca 0.21 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1pw4 h ALA 68 Cb 0.05 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1pw4 h ALA 68 CO -0.03 -0.58 0.61 1.25 0.00 0.00 0.00 179.25 180.51 1pw4 h LEU 69 N -0.14 1.01 -1.87 0.00 6.46 0.28 -0.11 115.31 120.94 1pw4 h LEU 69 Ca 0.02 -0.01 0.48 0.00 -0.12 0.00 0.00 57.88 58.24 1pw4 h LEU 69 Cb 0.16 -0.23 -0.07 0.00 -0.73 0.00 0.00 40.66 39.79 1pw4 h LEU 69 CO -0.05 0.69 1.25 -1.28 -0.62 0.00 0.00 178.44 178.43 1pw4 h SER 70 N 1.17 0.00 -0.20 1.25 0.87 0.14 -2.09 113.55 114.70 1pw4 h SER 70 Ca 0.37 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.99 1pw4 h SER 70 Cb 0.02 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.92 1pw4 h SER 70 CO -0.12 0.00 -0.28 1.23 -0.53 0.00 0.00 176.83 177.13 1pw4 h GLY 71 N 0.00 -0.29 -0.71 5.77 0.00 -0.88 -2.98 103.07 103.98 1pw4 h GLY 71 Ca 0.78 0.35 0.20 0.00 0.00 0.00 0.00 47.33 48.66 1pw4 h GLY 71 CO -0.01 -0.21 -0.11 -2.22 0.00 0.00 0.00 176.54 174.00 1pw4 h ILE 72 N -0.32 0.15 -0.38 2.60 5.03 -1.57 -1.78 117.51 121.25 1pw4 h ILE 72 Ca 0.12 -0.01 -0.08 0.00 -0.12 0.00 0.00 64.86 64.77 1pw4 h ILE 72 Cb 0.50 0.12 -0.01 0.00 -3.03 0.00 0.00 36.82 34.40 1pw4 h ILE 72 CO -0.38 0.01 -0.07 0.28 -0.68 0.00 0.00 178.15 177.30 1pw4 h SER 73 N 0.03 0.72 -0.10 1.72 0.02 -1.72 -2.21 113.55 112.01 1pw4 h SER 73 Ca 0.46 -0.35 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1pw4 h SER 73 Cb 0.80 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1pw4 h SER 73 CO -0.85 0.91 0.01 0.40 -1.14 0.00 0.00 176.83 176.16 1pw4 h ILE 74 N 0.52 0.95 -0.46 3.27 2.04 -1.25 0.22 117.51 122.81 1pw4 h ILE 74 Ca 0.10 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 1pw4 h ILE 74 Cb 0.58 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1pw4 h ILE 74 CO 0.03 0.01 0.14 0.00 0.00 0.00 0.00 178.15 178.34 1pw4 h ALA 75 N 1.07 0.61 -0.69 1.87 0.00 -1.50 0.31 119.26 120.92 1pw4 h ALA 75 Ca 0.04 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1pw4 h ALA 75 Cb 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1pw4 h ALA 75 CO -0.06 0.26 0.46 -0.92 0.00 0.00 0.00 179.25 178.99 1pw4 h TYR 76 N 0.61 0.72 0.78 0.00 3.20 -1.16 0.63 116.97 121.75 1pw4 h TYR 76 Ca 0.15 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 1pw4 h TYR 76 Cb 0.27 -0.24 0.01 0.00 1.54 0.00 0.00 36.73 38.31 1pw4 h TYR 76 CO 0.01 0.38 -0.37 0.78 -1.64 0.00 0.00 178.16 177.32 1pw4 h GLY 77 N 0.71 -1.09 2.00 1.82 0.00 0.24 -2.86 103.07 103.89 1pw4 h GLY 77 Ca 0.30 0.40 0.00 0.00 0.00 0.00 0.00 47.33 48.03 1pw4 h GLY 77 CO -0.10 -0.40 0.00 0.74 0.00 0.00 0.00 176.54 176.79 1pw4 h PHE 78 N -1.12 0.00 0.12 5.60 -1.00 -0.21 -3.32 116.94 117.01 1pw4 h PHE 78 Ca -0.11 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.67 1pw4 h PHE 78 Cb 0.80 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.36 1pw4 h PHE 78 CO 0.03 0.00 -0.09 1.03 -1.61 0.00 0.00 178.31 177.67 1pw4 h SER 79 N 0.00 -0.24 -0.21 2.17 0.87 0.50 -3.18 113.55 113.47 1pw4 h SER 79 Ca 0.00 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.64 1pw4 h SER 79 Cb 0.31 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1pw4 h SER 79 CO 0.00 -0.13 0.33 0.50 -0.53 0.00 0.00 176.83 177.01 1pw4 h LYS 80 N -0.20 0.00 -0.94 2.24 3.64 -1.64 -1.60 116.57 118.07 1pw4 h LYS 80 Ca -0.02 0.00 0.25 0.00 -1.27 0.00 0.00 60.65 59.62 1pw4 h LYS 80 Cb 0.17 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 1pw4 h LYS 80 CO 0.00 0.00 0.65 0.74 -2.27 0.00 0.00 179.45 178.58 1pw4 h PHE 81 N 0.00 0.22 0.00 1.91 0.05 -1.74 -3.27 116.94 114.12 1pw4 h PHE 81 Ca 0.10 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.90 1pw4 h PHE 81 Cb 0.77 -0.07 0.00 0.00 2.00 0.00 0.00 35.95 38.65 1pw4 h PHE 81 CO 0.00 0.04 -0.78 0.44 -0.18 0.00 0.00 178.31 177.84 1pw4 n ILE 82 N -4.37 0.00 0.28 -0.55 -5.35 -0.62 -4.75 119.36 104.01 1pw4 n ILE 82 Ca 0.20 0.00 0.17 0.00 -0.27 0.00 0.00 62.75 62.85 1pw4 n ILE 82 Cb 0.91 -0.59 0.94 0.00 -1.74 0.00 0.00 39.64 39.16 1pw4 n ILE 82 CO 0.00 0.00 0.00 0.24 -1.76 0.00 0.00 176.55 175.03 1pw4 h MET 83 N 0.00 0.00 -0.28 6.28 2.86 -1.62 -2.45 114.93 119.71 1pw4 h MET 83 Ca 0.00 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 1pw4 h MET 83 Cb 0.78 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 1pw4 h MET 83 CO 0.00 0.00 0.46 0.78 1.06 0.00 0.00 176.91 179.21 1pw4 h GLY 84 N 0.00 0.00 0.17 8.32 0.00 -1.82 -2.28 103.07 107.46 1pw4 h GLY 84 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.99 1pw4 h GLY 84 CO -0.00 0.00 -2.14 -1.14 0.00 0.00 0.00 176.54 173.25 1pw4 n SER 85 N -3.35 2.00 -0.15 0.19 3.41 -0.92 -4.29 113.62 110.51 1pw4 n SER 85 Ca 0.04 0.16 -0.09 0.00 -0.26 0.00 0.00 58.87 58.73 1pw4 n SER 85 Cb 0.59 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.78 1pw4 n SER 85 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1pw4 h VAL 86 N -0.38 0.13 -0.07 -3.33 2.07 -1.52 0.29 116.25 113.44 1pw4 h VAL 86 Ca -0.52 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.02 1pw4 h VAL 86 Cb 1.77 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1pw4 h VAL 86 CO -0.14 0.00 0.05 0.77 0.02 0.00 0.00 177.57 178.28 1pw4 h SER 87 N -0.28 0.00 -0.93 0.57 4.64 -1.77 0.29 113.55 116.07 1pw4 h SER 87 Ca 0.16 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.51 1pw4 h SER 87 Cb 0.57 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.61 1pw4 h SER 87 CO -0.60 0.00 0.61 -0.78 -0.87 0.00 0.00 176.83 175.19 1pw4 h ASP 88 N 0.00 1.03 0.03 4.97 3.58 -0.64 -3.08 116.42 122.30 1pw4 h ASP 88 Ca 0.03 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 1pw4 h ASP 88 Cb 0.14 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.95 1pw4 h ASP 88 CO -0.00 0.72 -0.01 0.03 -2.88 0.00 0.00 179.24 177.09 1pw4 h ARG 89 N 1.20 -0.04 -7.43 0.28 3.08 -0.10 -3.47 114.38 107.90 1pw4 h ARG 89 Ca 0.36 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.96 1pw4 h ARG 89 Cb -0.05 0.01 0.15 0.00 0.08 0.00 0.00 29.97 30.16 1pw4 h ARG 89 CO -0.11 0.66 0.24 -1.12 -1.07 0.00 0.00 179.97 178.58 1pw4 s SER 90 N -5.92 2.88 -0.24 7.04 0.01 0.77 -4.84 113.70 113.38 1pw4 s SER 90 Ca -0.15 1.02 -0.09 0.00 1.31 0.00 0.00 55.95 58.03 1pw4 s SER 90 Cb -0.01 -1.61 -0.04 0.00 0.21 0.00 0.00 66.02 64.57 1pw4 s SER 90 CO 0.57 -2.95 0.13 0.20 0.41 0.00 0.00 173.24 171.60 1pw4 s ASN 91 N -3.77 5.78 0.40 2.44 0.01 -1.26 -4.79 114.94 113.74 1pw4 s ASN 91 Ca 0.65 -0.00 0.24 0.00 -0.71 0.00 0.00 52.86 53.03 1pw4 s ASN 91 Cb -0.16 -2.04 1.31 0.00 0.41 0.00 0.00 41.25 40.77 1pw4 s ASN 91 CO 0.55 0.03 1.63 -0.65 -1.51 0.00 0.00 177.10 177.15 1pw4 h PRO 92 N 7.81 0.13 -0.81 -0.60 0.11 -1.89 -0.08 132.00 136.68 1pw4 h PRO 92 Ca -0.37 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.78 1pw4 h PRO 92 Cb 1.18 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 1pw4 h PRO 92 CO 0.61 0.09 0.50 -0.09 -0.21 0.00 0.00 178.00 178.90 1pw4 h ARG 93 N 0.13 0.93 0.01 1.05 2.43 -1.90 -2.99 114.38 114.04 1pw4 h ARG 93 Ca 0.80 -0.06 -0.25 0.00 -0.81 0.00 0.00 59.98 59.67 1pw4 h ARG 93 Cb 2.24 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 31.54 1pw4 h ARG 93 CO -0.55 0.61 -1.34 0.28 -1.51 0.00 0.00 179.97 177.47 1pw4 n VAL 94 N -4.62 1.55 -0.23 0.20 0.31 -0.20 -4.38 118.33 110.96 1pw4 n VAL 94 Ca 0.10 -0.06 0.23 0.00 -0.01 0.00 0.00 64.34 64.60 1pw4 n VAL 94 Cb 0.13 -2.02 0.59 0.00 -0.91 0.00 0.00 33.84 31.62 1pw4 n VAL 94 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1pw4 h PHE 95 N -0.96 0.34 0.43 3.52 3.57 -1.21 0.40 116.94 123.03 1pw4 h PHE 95 Ca -0.37 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.12 1pw4 h PHE 95 Cb 1.35 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.99 1pw4 h PHE 95 CO 0.09 0.08 -0.20 1.25 -2.23 0.00 0.00 178.31 177.29 1pw4 h LEU 96 N 0.25 -0.48 -0.96 0.59 7.12 -1.74 -2.47 115.31 117.61 1pw4 h LEU 96 Ca 0.47 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.48 1pw4 h LEU 96 Cb 1.42 0.13 -0.05 0.00 -0.53 0.00 0.00 40.66 41.62 1pw4 h LEU 96 CO -0.12 -0.05 0.62 -0.65 -0.13 0.00 0.00 178.44 178.10 1pw4 h PRO 97 N -1.14 1.28 -0.39 5.25 0.11 -1.67 -0.94 132.00 134.50 1pw4 h PRO 97 Ca -0.06 -0.09 0.11 0.00 0.11 0.00 0.00 66.00 66.07 1pw4 h PRO 97 Cb 0.46 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 1pw4 h PRO 97 CO 0.10 0.86 0.40 0.00 -0.21 0.00 0.00 178.00 179.15 1pw4 h ALA 98 N 1.34 2.10 0.01 -0.75 0.00 -0.27 -1.60 119.26 120.09 1pw4 h ALA 98 Ca 0.35 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.95 1pw4 h ALA 98 Cb -0.12 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1pw4 h ALA 98 CO -0.07 -0.60 -1.60 0.41 0.00 0.00 0.00 179.25 177.38 1pw4 n GLY 99 N -1.49 -0.74 0.00 0.00 0.00 -0.42 -3.46 105.19 99.09 1pw4 n GLY 99 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1pw4 n GLY 99 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1pw4 n LEU 100 N -4.31 0.00 -0.43 0.99 0.00 -0.82 -1.48 117.00 110.94 1pw4 n LEU 100 Ca -0.37 0.48 0.36 0.00 0.00 0.00 0.00 56.01 56.47 1pw4 n LEU 100 Cb 0.75 0.00 0.65 0.00 0.00 0.00 0.00 43.42 44.82 1pw4 n LEU 100 CO 0.17 0.00 1.27 0.40 0.00 0.00 0.00 177.39 179.23 1pw4 h ILE 101 N 0.00 0.22 -0.63 1.96 2.04 -1.55 1.38 117.51 120.93 1pw4 h ILE 101 Ca 0.00 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1pw4 h ILE 101 Cb 0.00 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.12 1pw4 h ILE 101 CO 0.00 0.02 0.39 0.25 0.00 0.00 0.00 178.15 178.82 1pw4 h LEU 102 N 0.13 0.65 0.00 1.44 6.46 -1.58 -1.02 115.31 121.39 1pw4 h LEU 102 Ca 0.76 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 58.52 1pw4 h LEU 102 Cb 2.45 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 42.24 1pw4 h LEU 102 CO -0.31 0.45 -0.00 0.00 -0.62 0.00 0.00 178.44 177.96 1pw4 h ALA 103 N 1.27 -0.00 -0.01 1.25 0.00 0.26 -3.28 119.26 118.75 1pw4 h ALA 103 Ca 0.25 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1pw4 h ALA 103 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pw4 h ALA 103 CO -0.09 -0.04 0.02 0.00 0.00 0.00 0.00 179.25 179.14 1pw4 h ALA 104 N 0.03 1.27 -0.08 0.00 0.00 0.14 0.18 119.26 120.80 1pw4 h ALA 104 Ca -0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1pw4 h ALA 104 Cb 0.89 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1pw4 h ALA 104 CO 0.00 -0.03 -0.49 0.00 0.00 0.00 0.00 179.25 178.74 1pw4 h ALA 105 N 1.96 0.16 -0.93 0.00 0.00 -1.30 -3.12 119.26 116.03 1pw4 h ALA 105 Ca 0.00 -0.51 0.13 0.00 0.00 0.00 0.00 54.91 54.54 1pw4 h ALA 105 Cb 0.05 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 1pw4 h ALA 105 CO -0.00 0.34 0.60 0.28 0.00 0.00 0.00 179.25 180.46 1pw4 h VAL 106 N 0.03 0.88 -0.41 0.00 2.07 -0.70 0.41 116.25 118.52 1pw4 h VAL 106 Ca -0.04 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1pw4 h VAL 106 Cb 1.14 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1pw4 h VAL 106 CO 0.10 0.15 0.24 -0.03 0.02 0.00 0.00 177.57 178.05 1pw4 h MET 107 N 0.82 0.56 -0.68 1.57 4.05 -1.47 -0.21 114.93 119.58 1pw4 h MET 107 Ca 0.47 -0.06 0.17 0.00 -0.28 0.00 0.00 59.70 59.99 1pw4 h MET 107 Cb 0.61 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 31.26 1pw4 h MET 107 CO -0.23 0.43 0.47 -0.07 0.23 0.00 0.00 176.91 177.75 1pw4 h LEU 108 N 0.53 0.18 -0.93 3.39 3.38 -0.15 0.36 115.31 122.07 1pw4 h LEU 108 Ca 0.15 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.22 1pw4 h LEU 108 Cb 0.03 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 1pw4 h LEU 108 CO -0.03 0.09 0.57 0.15 0.09 0.00 0.00 178.44 179.32 1pw4 h PHE 109 N 0.19 1.05 -0.00 1.13 -0.00 -0.24 -2.94 116.94 116.13 1pw4 h PHE 109 Ca 0.33 0.03 -0.01 0.00 -0.00 0.00 0.00 57.97 58.32 1pw4 h PHE 109 Cb 1.03 -0.33 0.00 0.00 -0.00 0.00 0.00 35.95 36.65 1pw4 h PHE 109 CO -0.00 0.46 -0.04 0.52 -0.00 0.00 0.00 178.31 179.26 1pw4 h MET 110 N 0.97 0.03 0.00 1.11 2.86 -0.18 -2.94 114.93 116.78 1pw4 h MET 110 Ca 0.44 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.05 1pw4 h MET 110 Cb 0.34 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1pw4 h MET 110 CO -0.23 0.77 0.15 0.78 1.06 0.00 0.00 176.91 179.44 1pw4 h GLY 111 N -0.70 0.00 0.00 8.32 0.00 -1.28 -3.30 103.07 106.11 1pw4 h GLY 111 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1pw4 h GLY 111 CO 0.01 0.00 -1.41 0.69 0.00 0.00 0.00 176.54 175.82 1pw4 n PHE 112 N -2.90 0.00 -3.29 5.60 3.01 -1.12 -4.79 117.46 113.96 1pw4 n PHE 112 Ca -0.02 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 57.99 1pw4 n PHE 112 Cb 0.21 -0.30 -0.06 0.00 -0.01 0.00 0.00 39.48 39.32 1pw4 n PHE 112 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1pw4 s VAL 113 N -2.15 5.11 0.01 -4.37 1.01 -1.11 -4.99 120.40 113.91 1pw4 s VAL 113 Ca -0.04 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 60.83 1pw4 s VAL 113 Cb 0.02 -4.27 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 1pw4 s VAL 113 CO 0.23 -0.78 0.96 -2.65 0.00 0.00 0.00 175.10 172.87 1pw4 n PRO 114 N 5.53 -0.03 -0.37 2.72 -0.02 -1.26 -0.97 135.00 140.61 1pw4 n PRO 114 Ca -0.12 0.96 0.01 0.00 -2.02 0.00 0.00 63.50 62.34 1pw4 n PRO 114 Cb 0.43 -1.44 0.07 0.00 -0.02 0.00 0.00 33.50 32.54 1pw4 n PRO 114 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1pw4 n TRP 115 N -3.08 0.14 -0.26 6.00 -0.00 -1.26 -0.24 117.44 118.74 1pw4 n TRP 115 Ca 0.00 1.19 -0.01 0.00 -0.00 0.00 0.00 57.50 58.68 1pw4 n TRP 115 Cb 0.02 -0.93 0.11 0.00 -0.00 0.00 0.00 31.31 30.50 1pw4 n TRP 115 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1pw4 h ALA 116 N 1.56 0.98 0.14 5.87 0.00 -1.45 -3.30 119.26 123.06 1pw4 h ALA 116 Ca 0.38 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 55.06 1pw4 h ALA 116 Cb 0.63 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1pw4 h ALA 116 CO -0.98 0.14 -1.14 0.00 0.00 0.00 0.00 179.25 177.28 1pw4 h THR 117 N 0.80 1.27 -3.50 0.00 1.03 0.12 -3.40 112.91 109.23 1pw4 h THR 117 Ca 0.32 -2.49 -0.75 0.00 -0.01 0.00 0.00 66.41 63.48 1pw4 h THR 117 Cb 0.16 2.97 -0.31 0.00 -1.07 0.00 0.00 68.15 69.89 1pw4 h THR 117 CO -0.17 0.72 0.12 -0.44 -0.01 0.00 0.00 175.52 175.74 1pw4 s SER 118 N -7.04 6.55 0.00 0.00 0.01 -0.12 -4.74 113.70 108.35 1pw4 s SER 118 Ca -0.16 -3.46 0.00 0.00 1.31 0.00 0.00 55.95 53.63 1pw4 s SER 118 Cb 0.03 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.20 1pw4 s SER 118 CO 0.81 -0.29 0.00 -0.24 0.41 0.00 0.00 173.24 173.93 1pw4 n SER 119 N 2.79 0.40 -2.14 2.44 2.88 -1.26 -4.81 113.62 113.92 1pw4 n SER 119 Ca 0.20 -0.11 -0.01 0.00 -1.33 0.00 0.00 58.87 57.63 1pw4 n SER 119 Cb 0.39 0.29 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 1pw4 n SER 119 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1pw4 n ILE 120 N -0.33 -5.22 -1.02 2.46 5.41 -1.26 -4.54 119.36 114.85 1pw4 n ILE 120 Ca 0.00 0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.79 1pw4 n ILE 120 Cb 0.00 -5.11 0.00 0.00 -0.71 0.00 0.00 39.64 33.82 1pw4 n ILE 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pw4 n ALA 121 N -1.06 0.00 0.08 -1.39 0.00 -1.26 -4.84 120.51 112.05 1pw4 n ALA 121 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.29 1pw4 n ALA 121 Cb 0.41 -0.36 -0.14 0.00 0.00 0.00 0.00 19.45 19.36 1pw4 n ALA 121 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1pw4 h VAL 122 N 0.00 1.29 -0.67 0.00 3.04 -1.88 -3.20 116.25 114.82 1pw4 h VAL 122 Ca 0.00 -2.90 -0.02 0.00 -1.01 0.00 0.00 66.70 62.78 1pw4 h VAL 122 Cb 0.29 2.84 -0.03 0.00 -2.01 0.00 0.00 31.29 32.38 1pw4 h VAL 122 CO 0.00 0.84 0.36 0.24 -1.01 0.00 0.00 177.57 178.01 1pw4 h MET 123 N 0.07 0.95 -0.45 4.17 2.86 -1.87 -0.72 114.93 119.93 1pw4 h MET 123 Ca -0.20 -0.12 0.05 0.00 -2.06 0.00 0.00 59.70 57.38 1pw4 h MET 123 Cb 2.00 -0.18 -0.08 0.00 0.06 0.00 0.00 31.60 33.40 1pw4 h MET 123 CO 0.18 0.72 -0.54 0.35 1.06 0.00 0.00 176.91 178.67 1pw4 h PHE 124 N 0.93 -1.67 -0.41 -0.22 3.57 -1.80 0.59 116.94 117.92 1pw4 h PHE 124 Ca 0.24 0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.85 1pw4 h PHE 124 Cb 0.05 0.79 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 1pw4 h PHE 124 CO -0.00 -0.46 0.20 0.28 -2.23 0.00 0.00 178.31 176.10 1pw4 h VAL 125 N -0.35 0.97 0.12 1.41 2.07 -1.40 0.48 116.25 119.56 1pw4 h VAL 125 Ca 0.08 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1pw4 h VAL 125 Cb 0.56 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1pw4 h VAL 125 CO -0.61 0.08 -0.06 -0.07 0.02 0.00 0.00 177.57 176.93 1pw4 h LEU 126 N 0.42 -0.13 -0.86 2.57 3.38 -0.65 -2.71 115.31 117.32 1pw4 h LEU 126 Ca 0.18 -0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.13 1pw4 h LEU 126 Cb 0.08 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 1pw4 h LEU 126 CO -0.12 0.05 0.49 0.25 0.09 0.00 0.00 178.44 179.19 1pw4 h LEU 127 N -0.31 0.67 -1.48 1.67 5.85 0.41 -1.17 115.31 120.94 1pw4 h LEU 127 Ca -0.02 0.06 0.15 0.00 0.84 0.00 0.00 57.88 58.91 1pw4 h LEU 127 Cb 0.25 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 1pw4 h LEU 127 CO 0.03 0.35 0.53 0.15 -0.34 0.00 0.00 178.44 179.15 1pw4 h PHE 128 N 0.77 0.59 -0.47 1.25 3.04 0.29 0.24 116.94 122.65 1pw4 h PHE 128 Ca 0.43 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 62.29 1pw4 h PHE 128 Cb 0.48 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.78 1pw4 h PHE 128 CO -0.06 0.22 -0.13 -0.07 -2.02 0.00 0.00 178.31 176.26 1pw4 h LEU 129 N 0.51 0.93 -0.69 0.59 3.38 -1.08 -2.37 115.31 116.57 1pw4 h LEU 129 Ca 0.39 -0.37 0.15 0.00 0.09 0.00 0.00 57.88 58.15 1pw4 h LEU 129 Cb 0.80 -0.25 -0.11 0.00 0.09 0.00 0.00 40.66 41.19 1pw4 h LEU 129 CO -0.15 1.08 0.13 0.00 0.09 0.00 0.00 178.44 179.59 1pw4 h GLY 131 N 0.23 0.10 0.74 0.00 0.00 -0.96 0.22 103.07 103.40 1pw4 h GLY 131 Ca 0.38 -0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.76 1pw4 h GLY 131 CO -0.50 -0.00 0.41 -0.25 0.00 0.00 0.00 176.54 176.19 1pw4 h TRP 132 N 0.06 0.75 -0.29 5.60 2.91 -0.17 -1.46 115.95 123.35 1pw4 h TRP 132 Ca 0.04 0.02 -0.15 0.00 1.13 0.00 0.00 58.89 59.94 1pw4 h TRP 132 Cb 0.04 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 28.45 1pw4 h TRP 132 CO -0.12 0.38 -0.41 0.74 -1.03 0.00 0.00 178.44 178.00 1pw4 h PHE 133 N 0.76 0.85 -0.37 2.65 0.05 -0.34 -2.11 116.94 118.44 1pw4 h PHE 133 Ca 0.30 -0.26 0.10 0.00 3.82 0.00 0.00 57.97 61.94 1pw4 h PHE 133 Cb 0.14 -0.18 -0.02 0.00 2.00 0.00 0.00 35.95 37.90 1pw4 h PHE 133 CO -0.06 1.01 0.26 0.37 -0.18 0.00 0.00 178.31 179.70 1pw4 h GLN 134 N 0.58 0.01 -0.06 1.51 5.75 0.29 -1.62 115.11 121.57 1pw4 h GLN 134 Ca 0.04 -0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.58 1pw4 h GLN 134 Cb 0.96 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.45 1pw4 h GLN 134 CO 0.09 0.01 -0.26 0.78 -2.65 0.00 0.00 178.83 176.80 1pw4 h GLY 135 N 0.01 -0.35 0.45 2.39 0.00 -0.58 -2.89 103.07 102.11 1pw4 h GLY 135 Ca 0.17 0.31 0.06 0.00 0.00 0.00 0.00 47.33 47.88 1pw4 h GLY 135 CO -0.00 -0.21 0.04 0.00 0.00 0.00 0.00 176.54 176.37 1pw4 h MET 136 N -0.37 0.15 -0.32 4.80 -0.00 -1.38 -3.31 114.93 114.51 1pw4 h MET 136 Ca 0.08 -0.01 0.09 0.00 -0.00 0.00 0.00 59.70 59.85 1pw4 h MET 136 Cb 0.48 -0.03 -0.06 0.00 -0.00 0.00 0.00 31.60 31.99 1pw4 h MET 136 CO -0.27 0.10 0.00 0.41 -0.00 0.00 0.00 176.91 177.15 1pw4 n GLY 137 N -1.25 -0.43 0.13 -3.00 0.00 -1.09 -2.93 105.19 96.61 1pw4 n GLY 137 Ca 0.02 0.31 -0.22 0.00 0.00 0.00 0.00 46.02 46.13 1pw4 n GLY 137 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1pw4 h TRP 138 N 0.00 0.54 0.00 1.61 7.01 -1.77 -3.38 115.95 119.97 1pw4 h TRP 138 Ca 0.19 -0.40 -0.01 0.00 2.11 0.00 0.00 58.89 60.78 1pw4 h TRP 138 Cb 0.39 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.42 1pw4 h TRP 138 CO -0.17 1.60 -0.06 -1.00 -2.79 0.00 0.00 178.44 176.02 1pw4 h PRO 139 N -0.16 0.00 -0.10 2.65 0.13 -1.76 0.11 132.00 132.88 1pw4 h PRO 139 Ca -0.32 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.65 1pw4 h PRO 139 Cb 1.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 33.00 1pw4 h PRO 139 CO 0.10 0.06 -0.65 -1.00 -0.23 0.00 0.00 178.00 176.29 1pw4 h PRO 140 N 0.00 0.38 -0.15 1.56 0.13 -1.77 0.15 132.00 132.30 1pw4 h PRO 140 Ca -0.00 -0.28 0.04 0.00 -0.87 0.00 0.00 66.00 64.89 1pw4 h PRO 140 Cb 0.15 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.32 1pw4 h PRO 140 CO 0.01 0.90 0.31 0.00 -0.23 0.00 0.00 178.00 178.99 1pw4 h GLY 142 N 0.00 0.00 0.64 0.00 0.00 0.41 -3.15 103.07 100.97 1pw4 h GLY 142 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.54 1pw4 h GLY 142 CO -0.00 0.00 0.54 -0.09 0.00 0.00 0.00 176.54 176.99 1pw4 h ARG 143 N -1.00 0.61 0.86 4.80 2.43 0.14 -1.95 114.38 120.28 1pw4 h ARG 143 Ca -0.07 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.02 1pw4 h ARG 143 Cb 0.99 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1pw4 h ARG 143 CO -0.04 0.41 -0.41 1.15 -1.51 0.00 0.00 179.97 179.56 1pw4 h THR 144 N 0.63 0.00 0.00 0.20 2.02 -0.92 -2.62 112.91 112.22 1pw4 h THR 144 Ca 0.41 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.51 1pw4 h THR 144 Cb 0.68 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1pw4 h THR 144 CO -0.17 0.00 0.47 0.24 0.37 0.00 0.00 175.52 176.43 1pw4 h MET 145 N -1.24 0.00 0.00 6.66 2.86 -1.31 2.36 114.93 124.26 1pw4 h MET 145 Ca -0.12 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.38 1pw4 h MET 145 Cb 0.89 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 1pw4 h MET 145 CO 0.19 0.00 -0.67 0.28 1.06 0.00 0.00 176.91 177.77 1pw4 h VAL 146 N 0.00 1.32 -0.50 -2.22 2.07 -1.18 -3.01 116.25 112.73 1pw4 h VAL 146 Ca 0.00 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1pw4 h VAL 146 Cb 0.94 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1pw4 h VAL 146 CO 0.00 0.66 0.00 1.41 0.02 0.00 0.00 177.57 179.66 1pw4 n HIS 147 N -3.50 1.04 0.00 1.57 8.25 0.79 -4.45 115.22 118.93 1pw4 n HIS 147 Ca -0.00 -0.43 0.00 0.00 -0.26 0.00 0.00 57.72 57.03 1pw4 n HIS 147 Cb 0.72 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.67 1pw4 n HIS 147 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1pw4 n TRP 148 N 0.85 0.00 -3.22 4.41 7.02 -1.14 -4.83 117.44 120.53 1pw4 n TRP 148 Ca 0.19 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.71 1pw4 n TRP 148 Cb 0.65 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.50 1pw4 n TRP 148 CO 0.00 0.00 0.00 1.67 -2.02 0.00 0.00 177.69 177.34 1pw4 s TRP 149 N -0.03 -0.22 0.44 -5.99 1.48 -1.26 -4.76 118.94 108.59 1pw4 s TRP 149 Ca 0.00 0.35 -0.23 0.00 -1.06 0.00 0.00 56.10 55.16 1pw4 s TRP 149 Cb 0.00 0.12 -0.11 0.00 -1.16 0.00 0.00 33.47 32.32 1pw4 s TRP 149 CO 0.00 -0.11 0.71 0.45 -4.06 0.00 0.00 176.95 173.94 1pw4 n SER 150 N 4.78 -0.13 -0.47 -2.66 2.88 -1.26 -2.25 113.62 114.50 1pw4 n SER 150 Ca -0.07 0.94 -0.06 0.00 -1.33 0.00 0.00 58.87 58.34 1pw4 n SER 150 Cb 0.55 -1.20 -0.03 0.00 -0.75 0.00 0.00 64.21 62.78 1pw4 n SER 150 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1pw4 n GLN 151 N 0.33 -0.80 0.00 -1.46 0.00 -1.26 -4.73 117.38 109.46 1pw4 n GLN 151 Ca 0.11 0.61 0.00 0.00 -0.00 0.00 0.00 57.00 57.72 1pw4 n GLN 151 Cb 0.40 -4.45 0.00 0.00 0.00 0.00 0.00 30.24 26.19 1pw4 n GLN 151 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1pw4 n LYS 152 N -2.07 0.39 -0.29 3.69 4.76 -0.95 -4.77 118.16 118.92 1pw4 n LYS 152 Ca -0.06 0.00 0.28 0.00 -2.87 0.00 0.00 58.31 55.66 1pw4 n LYS 152 Cb 0.29 -0.94 0.52 0.00 -1.84 0.00 0.00 35.03 33.06 1pw4 n LYS 152 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1pw4 n GLU 153 N -2.31 -0.05 -0.35 1.97 1.02 -1.20 0.19 120.64 119.90 1pw4 n GLU 153 Ca 0.00 1.24 0.24 0.00 -0.02 0.00 0.00 57.16 58.61 1pw4 n GLU 153 Cb 0.44 -2.21 0.49 0.00 -0.02 0.00 0.00 31.44 30.13 1pw4 n GLU 153 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pw4 h ARG 154 N 0.00 0.37 -0.01 3.49 -0.00 -1.92 -1.09 114.38 115.22 1pw4 h ARG 154 Ca 0.75 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.98 60.13 1pw4 h ARG 154 Cb 1.97 -0.08 0.01 0.00 0.00 0.00 0.00 29.97 31.86 1pw4 h ARG 154 CO -0.69 0.24 -0.28 0.78 0.00 0.00 0.00 179.97 180.02 1pw4 h GLY 155 N 0.38 0.23 0.62 0.04 0.00 -0.63 -1.74 103.07 101.98 1pw4 h GLY 155 Ca 0.68 -0.39 0.11 0.00 0.00 0.00 0.00 47.33 47.73 1pw4 h GLY 155 CO -0.44 0.34 0.60 -1.33 0.00 0.00 0.00 176.54 175.71 1pw4 h GLY 156 N -0.42 1.41 0.40 4.60 0.00 -1.30 -2.73 103.07 105.03 1pw4 h GLY 156 Ca -0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1pw4 h GLY 156 CO 0.06 0.19 -0.06 -2.22 0.00 0.00 0.00 176.54 174.50 1pw4 h ILE 157 N 0.93 1.52 -0.63 2.60 1.08 -1.37 -3.00 117.51 118.64 1pw4 h ILE 157 Ca 0.45 -1.61 0.08 0.00 -0.39 0.00 0.00 64.86 63.38 1pw4 h ILE 157 Cb 0.45 2.56 -0.09 0.00 -3.07 0.00 0.00 36.82 36.67 1pw4 h ILE 157 CO -0.21 0.43 -0.29 0.52 -0.69 0.00 0.00 178.15 177.91 1pw4 n VAL 158 N -4.70 -0.37 -0.17 1.67 0.31 -0.65 0.11 118.33 114.53 1pw4 n VAL 158 Ca -0.09 1.49 -0.07 0.00 -0.01 0.00 0.00 64.34 65.65 1pw4 n VAL 158 Cb 0.37 -1.91 0.02 0.00 -0.91 0.00 0.00 33.84 31.40 1pw4 n VAL 158 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1pw4 h SER 159 N 0.00 0.59 -0.30 4.52 0.87 -1.59 -3.35 113.55 114.29 1pw4 h SER 159 Ca 0.17 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 1pw4 h SER 159 Cb 0.33 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1pw4 h SER 159 CO -0.61 0.47 0.11 0.58 -0.53 0.00 0.00 176.83 176.85 1pw4 h VAL 160 N 0.66 1.19 0.81 2.23 2.07 0.88 -2.95 116.25 121.14 1pw4 h VAL 160 Ca 0.18 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 1pw4 h VAL 160 Cb -0.02 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1pw4 h VAL 160 CO -0.03 0.20 -0.49 -0.50 0.02 0.00 0.00 177.57 176.77 1pw4 h TRP 161 N 0.33 -1.30 0.00 1.57 4.06 -1.61 -2.89 115.95 116.11 1pw4 h TRP 161 Ca 0.10 -0.01 -0.06 0.00 2.06 0.00 0.00 58.89 60.98 1pw4 h TRP 161 Cb 0.20 0.46 -0.01 0.00 -1.00 0.00 0.00 29.16 28.82 1pw4 h TRP 161 CO -0.00 -0.73 -0.26 -0.91 -3.56 0.00 0.00 178.44 172.97 1pw4 h ASN 162 N -1.21 0.00 0.14 -3.49 2.35 -1.72 -3.26 115.58 108.39 1pw4 h ASN 162 Ca -0.11 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.28 1pw4 h ASN 162 Cb 0.97 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.28 1pw4 h ASN 162 CO 0.11 0.26 -2.17 0.00 -1.65 0.00 0.00 177.43 173.99 1pw4 h ALA 164 N 0.45 0.86 0.00 0.00 0.00 -1.58 -0.66 119.26 118.33 1pw4 h ALA 164 Ca -0.47 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1pw4 h ALA 164 Cb 2.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 1pw4 h ALA 164 CO 0.02 0.02 -0.20 1.25 0.00 0.00 0.00 179.25 180.34 1pw4 h HIS 165 N 0.65 0.00 0.08 0.00 6.17 -1.78 -3.32 115.15 116.95 1pw4 h HIS 165 Ca 0.29 0.00 -0.26 0.00 0.71 0.00 0.00 60.37 61.11 1pw4 h HIS 165 Cb 0.18 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.10 1pw4 h HIS 165 CO -0.08 0.20 -1.35 -0.91 0.71 0.00 0.00 177.93 176.50 1pw4 h ASN 166 N 0.00 0.27 -0.58 3.26 2.35 -1.63 -2.74 115.58 116.51 1pw4 h ASN 166 Ca -0.00 -0.79 0.13 0.00 -0.55 0.00 0.00 56.30 55.09 1pw4 h ASN 166 Cb 0.55 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.81 1pw4 h ASN 166 CO 0.03 1.57 0.40 0.58 -1.65 0.00 0.00 177.43 178.36 1pw4 h VAL 167 N -0.48 0.80 0.03 2.81 2.07 -1.28 -2.60 116.25 117.60 1pw4 h VAL 167 Ca -0.31 -0.06 -0.38 0.00 0.82 0.00 0.00 66.70 66.77 1pw4 h VAL 167 Cb 1.63 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 1pw4 h VAL 167 CO -0.01 0.03 -2.32 0.61 0.02 0.00 0.00 177.57 175.91 1pw4 n GLY 168 N -1.58 -0.49 0.21 2.17 0.00 -1.25 -4.43 105.19 99.82 1pw4 n GLY 168 Ca 0.10 -0.21 0.15 0.00 0.00 0.00 0.00 46.02 46.06 1pw4 n GLY 168 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pw4 h GLY 169 N 1.99 0.00 0.33 -0.02 0.00 -1.38 -3.06 103.07 100.92 1pw4 h GLY 169 Ca -0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1pw4 h GLY 169 CO -0.03 0.00 -0.50 0.61 0.00 0.00 0.00 176.54 176.62 1pw4 n GLY 170 N 0.02 -0.83 0.10 4.60 0.00 -0.99 -4.43 105.19 103.66 1pw4 n GLY 170 Ca 0.01 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.44 1pw4 n GLY 170 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pw4 h ILE 171 N 0.71 1.30 -0.82 -0.61 2.04 -1.75 -3.37 117.51 115.01 1pw4 h ILE 171 Ca 0.00 -2.94 0.13 0.00 1.00 0.00 0.00 64.86 63.05 1pw4 h ILE 171 Cb 0.53 2.80 -0.09 0.00 -0.74 0.00 0.00 36.82 39.33 1pw4 h ILE 171 CO 0.00 0.84 0.42 1.55 0.00 0.00 0.00 178.15 180.95 1pw4 h PRO 172 N 0.06 0.60 0.00 2.37 0.13 -1.77 -0.83 132.00 132.55 1pw4 h PRO 172 Ca -0.19 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.87 1pw4 h PRO 172 Cb 1.97 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.96 1pw4 h PRO 172 CO 0.16 0.40 -0.17 -1.00 -0.23 0.00 0.00 178.00 177.16 1pw4 h PRO 173 N 0.62 0.00 -0.56 1.56 0.13 -1.87 -1.00 132.00 130.88 1pw4 h PRO 173 Ca 0.44 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.53 1pw4 h PRO 173 Cb 0.58 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.68 1pw4 h PRO 173 CO -0.34 0.17 0.20 -0.07 -0.23 0.00 0.00 178.00 177.73 1pw4 h LEU 174 N 0.00 0.78 -0.06 1.56 3.38 -1.41 0.12 115.31 119.68 1pw4 h LEU 174 Ca -0.00 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1pw4 h LEU 174 Cb 0.35 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1pw4 h LEU 174 CO 0.02 0.76 -0.09 -0.07 0.09 0.00 0.00 178.44 179.15 1pw4 h LEU 175 N 0.76 0.19 -0.54 1.67 3.38 -1.05 -1.86 115.31 117.87 1pw4 h LEU 175 Ca 0.18 -0.53 0.09 0.00 0.09 0.00 0.00 57.88 57.72 1pw4 h LEU 175 Cb 0.23 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 1pw4 h LEU 175 CO -0.01 0.68 0.14 0.15 0.09 0.00 0.00 178.44 179.48 1pw4 h PHE 176 N -0.29 0.22 -0.81 1.13 3.57 -1.18 1.55 116.94 121.13 1pw4 h PHE 176 Ca 0.01 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.69 1pw4 h PHE 176 Cb 0.63 -0.02 -0.10 0.00 2.79 0.00 0.00 35.95 39.26 1pw4 h PHE 176 CO 0.10 0.02 0.37 1.25 -2.23 0.00 0.00 178.31 177.82 1pw4 h LEU 177 N 0.28 0.39 0.02 0.59 7.12 -0.67 -1.61 115.31 121.42 1pw4 h LEU 177 Ca 0.27 0.11 -0.08 0.00 0.13 0.00 0.00 57.88 58.31 1pw4 h LEU 177 Cb 0.37 0.06 0.01 0.00 -0.53 0.00 0.00 40.66 40.56 1pw4 h LEU 177 CO -0.33 0.14 -0.34 0.25 -0.13 0.00 0.00 178.44 178.02 1pw4 h LEU 178 N 0.51 0.27 0.00 2.25 5.85 0.04 -3.25 115.31 120.99 1pw4 h LEU 178 Ca 0.45 -0.82 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1pw4 h LEU 178 Cb 0.69 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1pw4 h LEU 178 CO -0.40 1.06 0.00 0.61 -0.34 0.00 0.00 178.44 179.37 1pw4 n GLY 179 N 1.18 -0.23 0.09 3.75 0.00 0.51 -2.61 105.19 107.89 1pw4 n GLY 179 Ca -0.10 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1pw4 n GLY 179 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1pw4 h MET 180 N 0.00 0.18 -0.54 1.61 2.86 -1.34 -1.36 114.93 116.35 1pw4 h MET 180 Ca 0.00 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.47 1pw4 h MET 180 Cb 0.01 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1pw4 h MET 180 CO 0.00 0.55 -0.00 0.00 1.06 0.00 0.00 176.91 178.52 1pw4 h ALA 181 N 0.63 0.73 0.04 6.32 0.00 -1.73 -2.14 119.26 123.11 1pw4 h ALA 181 Ca 0.02 -0.30 -0.24 0.00 0.00 0.00 0.00 54.91 54.39 1pw4 h ALA 181 Cb 0.50 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1pw4 h ALA 181 CO 0.01 0.56 -1.15 -1.49 0.00 0.00 0.00 179.25 177.19 1pw4 h TRP 182 N 0.84 0.17 -1.12 0.00 6.55 -1.68 -3.35 115.95 117.35 1pw4 h TRP 182 Ca 0.15 -0.12 -0.56 0.00 0.95 0.00 0.00 58.89 59.31 1pw4 h TRP 182 Cb 0.54 -0.01 -0.42 0.00 -0.86 0.00 0.00 29.16 28.41 1pw4 h TRP 182 CO 0.04 1.10 -0.78 1.19 -1.05 0.00 0.00 178.44 178.94 1pw4 n PHE 183 N -3.39 3.04 0.00 0.49 3.01 -0.51 -5.01 117.46 115.09 1pw4 n PHE 183 Ca -0.04 -2.66 0.00 0.00 1.01 0.00 0.00 57.45 55.75 1pw4 n PHE 183 Cb 0.98 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 40.23 1pw4 n PHE 183 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1pw4 n ASN 184 N -0.59 0.00 -4.65 4.37 6.94 -0.81 -4.60 115.26 115.93 1pw4 n ASN 184 Ca 0.41 0.00 -0.48 0.00 -0.02 0.00 0.00 54.58 54.49 1pw4 n ASN 184 Cb 0.82 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 38.19 1pw4 n ASN 184 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1pw4 n ASP 185 N -0.93 2.69 -0.12 0.53 2.03 -1.26 -4.92 116.55 114.57 1pw4 n ASP 185 Ca 0.00 1.09 -0.26 0.00 0.52 0.00 0.00 54.79 56.14 1pw4 n ASP 185 Cb 0.00 -1.36 -0.11 0.00 -0.72 0.00 0.00 41.12 38.93 1pw4 n ASP 185 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 1pw4 n TRP 186 N 3.18 0.47 -0.31 -0.67 2.14 -1.26 -3.99 117.44 117.00 1pw4 n TRP 186 Ca 0.17 0.20 0.31 0.00 2.07 0.00 0.00 57.50 60.25 1pw4 n TRP 186 Cb 0.26 -1.05 0.67 0.00 -0.81 0.00 0.00 31.31 30.38 1pw4 n TRP 186 CO 0.00 0.00 0.00 1.25 2.07 0.00 0.00 177.69 181.01 1pw4 h HIS 187 N -0.94 0.22 -1.89 -2.67 -0.00 -1.91 -3.27 115.15 104.69 1pw4 h HIS 187 Ca -0.54 0.01 -0.53 0.00 -0.00 0.00 0.00 60.37 59.30 1pw4 h HIS 187 Cb 1.50 -0.06 -0.37 0.00 -0.00 0.00 0.00 27.41 28.49 1pw4 h HIS 187 CO -0.00 0.02 -1.03 0.00 -0.00 0.00 0.00 177.93 176.91 1pw4 n ALA 188 N -2.66 2.13 -0.52 5.26 0.00 -1.26 -4.25 120.51 119.21 1pw4 n ALA 188 Ca 0.25 -3.16 0.06 0.00 0.00 0.00 0.00 53.44 50.60 1pw4 n ALA 188 Cb 1.10 -0.85 0.18 0.00 0.00 0.00 0.00 19.45 19.88 1pw4 n ALA 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pw4 n ALA 189 N 1.68 2.47 0.36 0.00 0.00 -1.24 -4.54 120.51 119.25 1pw4 n ALA 189 Ca 0.21 -1.66 0.04 0.00 0.00 0.00 0.00 53.44 52.04 1pw4 n ALA 189 Cb 0.53 -0.50 0.21 0.00 0.00 0.00 0.00 19.45 19.69 1pw4 n ALA 189 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1pw4 n LEU 190 N -0.08 0.00 0.07 0.00 -0.00 -1.26 -2.94 117.00 112.80 1pw4 n LEU 190 Ca 0.14 0.40 -0.07 0.00 -0.00 0.00 0.00 56.01 56.48 1pw4 n LEU 190 Cb 0.60 -0.40 -0.08 0.00 -0.00 0.00 0.00 43.42 43.54 1pw4 n LEU 190 CO 0.10 -0.28 0.18 0.10 -0.00 0.00 0.00 177.39 177.49 1pw4 h TYR 191 N 0.00 0.04 -0.98 1.47 -0.00 -1.89 -3.37 116.97 112.24 1pw4 h TYR 191 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.70 1pw4 h TYR 191 Cb 0.12 -0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 36.80 1pw4 h TYR 191 CO 0.00 0.97 0.63 1.98 -0.00 0.00 0.00 178.16 181.74 1pw4 h MET 192 N 0.01 1.31 -0.48 0.10 4.05 -1.90 0.36 114.93 118.38 1pw4 h MET 192 Ca -0.02 -0.09 -0.00 0.00 -0.28 0.00 0.00 59.70 59.30 1pw4 h MET 192 Cb 1.69 -0.29 -0.02 0.00 -0.80 0.00 0.00 31.60 32.18 1pw4 h MET 192 CO 0.13 0.89 0.28 -1.35 0.23 0.00 0.00 176.91 177.08 1pw4 h PRO 193 N 1.34 0.65 -0.55 0.39 0.11 -1.79 -1.84 132.00 130.32 1pw4 h PRO 193 Ca 0.36 -0.07 0.05 0.00 0.11 0.00 0.00 66.00 66.45 1pw4 h PRO 193 Cb -0.12 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 30.83 1pw4 h PRO 193 CO -0.07 0.49 0.36 0.00 -0.21 0.00 0.00 178.00 178.57 1pw4 h ALA 194 N 1.13 1.83 -0.47 -0.75 0.00 -1.53 -2.23 119.26 117.24 1pw4 h ALA 194 Ca 0.17 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1pw4 h ALA 194 Cb 0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 1pw4 h ALA 194 CO -0.03 0.09 0.13 0.35 0.00 0.00 0.00 179.25 179.79 1pw4 h PHE 195 N 0.54 0.23 0.00 0.00 3.57 -0.08 -2.03 116.94 119.16 1pw4 h PHE 195 Ca 0.23 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.61 1pw4 h PHE 195 Cb 0.23 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1pw4 h PHE 195 CO -0.00 0.05 -0.71 0.00 -2.23 0.00 0.00 178.31 175.42 1pw4 h ALA 197 N 1.29 1.13 -0.97 0.00 0.00 -0.87 0.35 119.26 120.19 1pw4 h ALA 197 Ca -0.01 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1pw4 h ALA 197 Cb 1.35 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 1pw4 h ALA 197 CO 0.09 -0.03 0.61 -0.84 0.00 0.00 0.00 179.25 179.08 1pw4 h ILE 198 N 0.65 0.98 -0.69 0.00 -0.00 -1.60 -1.15 117.51 115.71 1pw4 h ILE 198 Ca 0.40 -0.35 0.03 0.00 -0.00 0.00 0.00 64.86 64.93 1pw4 h ILE 198 Cb 0.46 -0.14 -0.04 0.00 -0.00 0.00 0.00 36.82 37.11 1pw4 h ILE 198 CO -0.30 0.19 0.43 -0.07 -0.00 0.00 0.00 178.15 178.40 1pw4 h LEU 199 N 1.03 0.72 -0.63 0.16 3.38 -0.48 -0.95 115.31 118.55 1pw4 h LEU 199 Ca 0.46 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.36 1pw4 h LEU 199 Cb 0.34 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1pw4 h LEU 199 CO -0.23 0.50 0.15 0.58 0.09 0.00 0.00 178.44 179.54 1pw4 h VAL 200 N 0.86 1.25 -1.01 1.22 2.07 -0.75 -2.52 116.25 117.38 1pw4 h VAL 200 Ca 0.27 -0.92 0.23 0.00 0.82 0.00 0.00 66.70 67.10 1pw4 h VAL 200 Cb -0.00 0.65 -0.12 0.00 -1.52 0.00 0.00 31.29 30.30 1pw4 h VAL 200 CO -0.10 0.35 0.60 0.00 0.02 0.00 0.00 177.57 178.44 1pw4 h ALA 201 N 1.05 1.77 0.38 1.67 0.00 -0.03 0.47 119.26 124.57 1pw4 h ALA 201 Ca 0.20 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1pw4 h ALA 201 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1pw4 h ALA 201 CO 0.00 -0.21 -0.18 -0.07 0.00 0.00 0.00 179.25 178.79 1pw4 h LEU 202 N 0.64 -0.43 -1.42 0.00 3.38 -1.00 -0.58 115.31 115.89 1pw4 h LEU 202 Ca 0.62 -0.11 0.24 0.00 0.09 0.00 0.00 57.88 58.72 1pw4 h LEU 202 Cb 1.13 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.91 1pw4 h LEU 202 CO -0.44 -0.12 0.65 0.15 0.09 0.00 0.00 178.44 178.77 1pw4 h PHE 203 N -0.77 0.62 0.59 1.13 3.57 -0.89 0.62 116.94 121.80 1pw4 h PHE 203 Ca -0.05 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 1pw4 h PHE 203 Cb 0.52 -0.18 0.01 0.00 2.79 0.00 0.00 35.95 39.08 1pw4 h PHE 203 CO 0.01 0.10 -0.28 0.00 -2.23 0.00 0.00 178.31 175.91 1pw4 h ALA 204 N 1.61 -0.79 -0.92 2.41 0.00 0.41 -2.87 119.26 119.12 1pw4 h ALA 204 Ca 0.55 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1pw4 h ALA 204 Cb 1.37 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 19.40 1pw4 h ALA 204 CO -0.25 -0.89 0.59 0.35 0.00 0.00 0.00 179.25 179.05 1pw4 h PHE 205 N -0.91 1.09 0.00 0.00 3.57 0.16 -2.42 116.94 118.43 1pw4 h PHE 205 Ca -0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1pw4 h PHE 205 Cb 0.65 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1pw4 h PHE 205 CO -0.01 0.58 0.00 0.00 -2.23 0.00 0.00 178.31 176.65 1pw4 h ALA 206 N 1.41 1.00 0.00 2.41 0.00 -0.13 -3.30 119.26 120.65 1pw4 h ALA 206 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1pw4 h ALA 206 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1pw4 h ALA 206 CO -0.16 0.00 -1.07 -1.33 0.00 0.00 0.00 179.25 176.69 1pw4 n MET 207 N -2.86 0.30 -1.69 0.00 2.81 -0.95 -5.06 117.12 109.67 1pw4 n MET 207 Ca -0.01 -0.02 -0.29 0.00 -1.81 0.00 0.00 57.70 55.57 1pw4 n MET 207 Cb 0.16 -1.04 0.11 0.00 -0.71 0.00 0.00 33.22 31.74 1pw4 n MET 207 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1pw4 s MET 208 N -2.13 1.56 0.12 0.03 1.00 -0.99 -3.91 119.30 114.98 1pw4 s MET 208 Ca -0.01 0.24 -0.25 0.00 0.00 0.00 0.00 55.69 55.67 1pw4 s MET 208 Cb 0.02 -1.89 0.08 0.00 0.00 0.00 0.00 34.83 33.04 1pw4 s MET 208 CO 0.10 -1.90 1.09 0.50 0.00 0.00 0.00 175.02 174.81 1pw4 s ARG 209 N -5.40 1.03 -0.07 2.03 3.52 -1.26 -4.90 118.95 113.91 1pw4 s ARG 209 Ca 0.63 -0.63 0.03 0.00 -0.13 0.00 0.00 55.73 55.62 1pw4 s ARG 209 Cb -0.13 0.31 -0.25 0.00 -1.56 0.00 0.00 34.95 33.32 1pw4 s ARG 209 CO 0.52 -0.48 0.57 -0.44 -0.81 0.00 0.00 175.30 174.66 1pw4 h ASP 210 N 2.00 0.22 -0.09 -2.12 5.19 -1.98 -3.43 116.42 116.20 1pw4 h ASP 210 Ca -0.26 -0.45 -0.04 0.00 -0.62 0.00 0.00 57.03 55.65 1pw4 h ASP 210 Cb 1.21 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.64 1pw4 h ASP 210 CO 0.32 1.40 -0.04 0.41 -3.12 0.00 0.00 179.24 178.22 1pw4 n THR 211 N -3.27 0.00 -0.09 0.35 -1.04 -1.26 -4.88 114.28 104.09 1pw4 n THR 211 Ca -0.23 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.55 1pw4 n THR 211 Cb 1.05 -0.48 -0.12 0.00 -1.82 0.00 0.00 70.33 68.96 1pw4 n THR 211 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1pw4 n PRO 212 N -2.50 0.64 0.13 -2.82 -0.04 -1.26 -4.48 135.00 124.67 1pw4 n PRO 212 Ca -0.02 0.33 0.18 0.00 -0.04 0.00 0.00 63.50 63.96 1pw4 n PRO 212 Cb 0.12 -1.63 0.65 0.00 -0.04 0.00 0.00 33.50 32.59 1pw4 n PRO 212 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1pw4 h GLN 213 N -0.51 0.00 0.00 0.54 -0.00 -1.90 2.17 115.11 115.41 1pw4 h GLN 213 Ca -0.50 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.03 1pw4 h GLN 213 Cb 1.70 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 29.15 1pw4 h GLN 213 CO -0.16 0.00 -1.45 0.45 -0.00 0.00 0.00 178.83 177.68 1pw4 n SER 214 N -3.29 3.41 -0.07 0.06 2.88 -1.26 -2.94 113.62 112.40 1pw4 n SER 214 Ca 0.07 -0.02 -0.11 0.00 -1.33 0.00 0.00 58.87 57.48 1pw4 n SER 214 Cb 0.74 0.29 -0.07 0.00 -0.75 0.00 0.00 64.21 64.42 1pw4 n SER 214 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pw4 n GLY 216 N 1.60 0.81 3.41 0.00 0.00 0.73 -4.17 105.19 107.58 1pw4 n GLY 216 Ca -0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 1pw4 n GLY 216 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pw4 s LEU 217 N 0.00 5.07 0.48 0.99 1.02 -1.26 -5.00 118.68 119.99 1pw4 s LEU 217 Ca 0.00 -1.18 -0.23 0.00 0.02 0.00 0.00 54.13 52.75 1pw4 s LEU 217 Cb 0.00 -2.38 -0.08 0.00 0.02 0.00 0.00 46.19 43.75 1pw4 s LEU 217 CO 0.00 -1.11 1.06 -2.65 0.02 0.00 0.00 176.35 173.67 1pw4 n PRO 218 N 6.54 1.34 -1.49 1.29 -0.02 -1.26 -4.47 135.00 136.93 1pw4 n PRO 218 Ca -0.07 0.49 -0.44 0.00 -2.02 0.00 0.00 63.50 61.46 1pw4 n PRO 218 Cb 0.44 -2.17 -0.08 0.00 -0.02 0.00 0.00 33.50 31.67 1pw4 n PRO 218 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1pw4 n PRO 219 N -0.28 0.84 0.00 0.52 -0.02 -1.26 -4.60 135.00 130.20 1pw4 n PRO 219 Ca 0.10 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1pw4 n PRO 219 Cb 0.42 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1pw4 n PRO 219 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1pw4 n ILE 220 N 7.53 0.00 0.00 4.25 2.08 -1.26 -4.72 119.36 127.23 1pw4 n ILE 220 Ca 0.45 0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.78 1pw4 n ILE 220 Cb 0.29 -0.87 0.00 0.00 -0.75 0.00 0.00 39.64 38.30 1pw4 n ILE 220 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1pw4 n GLU 221 N -1.40 0.00 0.00 0.38 -0.58 -1.26 -0.98 120.64 116.79 1pw4 n GLU 221 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1pw4 n GLU 221 Cb 0.00 -0.53 0.00 0.00 -0.57 0.00 0.00 31.44 30.34 1pw4 n GLU 221 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1pw4 n GLU 222 N 0.53 0.00 -3.32 3.49 -0.58 -1.26 -5.04 120.64 114.45 1pw4 n GLU 222 Ca 0.00 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.58 1pw4 n GLU 222 Cb 0.00 -0.01 0.08 0.00 -0.57 0.00 0.00 31.44 30.94 1pw4 n GLU 222 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1pw4 n TYR 223 N 0.00 -2.13 0.22 -0.32 4.19 -0.16 -4.98 117.16 113.98 1pw4 n TYR 223 Ca 0.00 0.88 -0.09 0.00 3.31 0.00 0.00 57.90 62.00 1pw4 n TYR 223 Cb 0.04 -4.77 -0.04 0.00 0.49 0.00 0.00 39.34 35.05 1pw4 n TYR 223 CO 0.00 0.00 0.00 0.87 0.91 0.00 0.00 176.86 178.64 1pw4 h LYS 224 N -1.66 -0.54 -6.04 2.98 1.79 -1.85 -3.48 116.57 107.77 1pw4 h LYS 224 Ca -0.56 0.04 -0.42 0.00 -2.18 0.00 0.00 60.65 57.53 1pw4 h LYS 224 Cb 1.32 0.12 0.06 0.00 -1.58 0.00 0.00 32.23 32.15 1pw4 h LYS 224 CO 0.46 -0.36 -0.78 0.09 -1.08 0.00 0.00 179.45 177.78 1pw4 n ASN 225 N -3.57 -2.94 0.00 0.86 4.13 -1.26 -5.15 115.26 107.33 1pw4 n ASN 225 Ca -0.07 -0.74 0.00 0.00 1.68 0.00 0.00 54.58 55.45 1pw4 n ASN 225 Cb 0.22 -4.33 0.00 0.00 -1.54 0.00 0.00 39.78 34.13 1pw4 n ASN 225 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1pw4 n ASP 226 N -3.01 0.00 -0.74 6.41 8.00 -1.26 -5.24 116.55 120.71 1pw4 n ASP 226 Ca -0.17 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.43 1pw4 n ASP 226 Cb 0.62 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.70 1pw4 n ASP 226 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1pw4 n THR 240 N 0.00 0.00 -3.93 -3.53 -1.04 -1.26 -5.27 114.28 99.25 1pw4 n THR 240 Ca 0.00 0.04 -0.26 0.00 -2.04 0.00 0.00 64.05 61.79 1pw4 n THR 240 Cb 0.00 -0.29 -0.02 0.00 -1.82 0.00 0.00 70.33 68.19 1pw4 n THR 240 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pw4 s ALA 241 N -1.79 4.25 0.16 2.41 0.00 -1.26 -5.00 121.76 120.53 1pw4 s ALA 241 Ca 0.00 -1.40 0.08 0.00 0.00 0.00 0.00 51.96 50.64 1pw4 s ALA 241 Cb 0.00 -0.67 0.55 0.00 0.00 0.00 0.00 23.12 23.00 1pw4 s ALA 241 CO 0.00 -0.36 0.68 1.17 0.00 0.00 0.00 175.76 177.26 1pw4 n LYS 242 N -1.64 -0.03 -0.04 0.00 4.81 -1.26 -1.81 118.16 118.19 1pw4 n LYS 242 Ca -0.02 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1pw4 n LYS 242 Cb 0.64 -1.07 0.01 0.00 0.02 0.00 0.00 35.03 34.64 1pw4 n LYS 242 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1pw4 n GLN 243 N -4.05 -0.02 -0.31 1.64 6.02 -1.26 0.95 117.38 120.36 1pw4 n GLN 243 Ca 0.16 0.18 0.16 0.00 -0.01 0.00 0.00 57.00 57.48 1pw4 n GLN 243 Cb 0.53 -0.27 0.30 0.00 1.02 0.00 0.00 30.24 31.82 1pw4 n GLN 243 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1pw4 n ILE 244 N -4.18 -0.38 0.11 5.09 5.41 -0.75 0.38 119.36 125.03 1pw4 n ILE 244 Ca 0.02 1.97 -0.13 0.00 1.00 0.00 0.00 62.75 65.60 1pw4 n ILE 244 Cb 0.05 -2.92 -0.07 0.00 -0.71 0.00 0.00 39.64 35.99 1pw4 n ILE 244 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1pw4 h PHE 245 N 0.00 -0.18 -0.52 1.39 3.57 0.30 0.16 116.94 121.66 1pw4 h PHE 245 Ca 0.58 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 62.06 1pw4 h PHE 245 Cb 1.26 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 40.03 1pw4 h PHE 245 CO -0.40 -0.10 0.25 1.98 -2.23 0.00 0.00 178.31 177.81 1pw4 h MET 246 N -0.20 0.75 -0.01 1.11 4.05 -0.19 0.47 114.93 120.90 1pw4 h MET 246 Ca -0.02 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.28 1pw4 h MET 246 Cb 0.16 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.82 1pw4 h MET 246 CO 0.03 0.62 -0.03 1.96 0.23 0.00 0.00 176.91 179.72 1pw4 h GLN 247 N 0.70 0.04 0.01 0.39 4.20 -0.03 -3.32 115.11 117.10 1pw4 h GLN 247 Ca 0.18 -0.03 -0.37 0.00 0.06 0.00 0.00 58.65 58.48 1pw4 h GLN 247 Cb 0.12 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.84 1pw4 h GLN 247 CO -0.02 0.65 -2.36 0.66 -0.67 0.00 0.00 178.83 177.08 1pw4 n TYR 248 N -4.75 0.15 -0.03 2.96 4.02 0.53 -4.71 117.16 115.32 1pw4 n TYR 248 Ca -0.09 0.04 -0.22 0.00 -0.01 0.00 0.00 57.90 57.63 1pw4 n TYR 248 Cb 0.33 -1.02 -0.13 0.00 -0.02 0.00 0.00 39.34 38.49 1pw4 n TYR 248 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1pw4 h VAL 249 N 0.00 0.84 -0.72 -0.72 2.07 -1.33 -3.40 116.25 112.99 1pw4 h VAL 249 Ca -0.54 -2.30 0.16 0.00 0.82 0.00 0.00 66.70 64.84 1pw4 h VAL 249 Cb 2.06 2.47 -0.12 0.00 -1.52 0.00 0.00 31.29 34.19 1pw4 h VAL 249 CO -0.02 0.65 0.09 0.25 0.02 0.00 0.00 177.57 178.56 1pw4 h LEU 250 N -0.39 -0.15 0.00 2.57 5.85 -0.19 -3.25 115.31 119.75 1pw4 h LEU 250 Ca -0.36 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1pw4 h LEU 250 Cb 1.71 0.26 0.00 0.00 0.37 0.00 0.00 40.66 43.00 1pw4 h LEU 250 CO -0.02 -0.10 0.00 -2.65 -0.34 0.00 0.00 178.44 175.33 1pw4 n PRO 251 N -5.24 0.00 -3.82 5.25 -0.02 -1.26 -4.80 135.00 125.10 1pw4 n PRO 251 Ca 0.13 0.28 -0.26 0.00 -2.02 0.00 0.00 63.50 61.64 1pw4 n PRO 251 Cb 0.45 -0.75 -0.03 0.00 -0.02 0.00 0.00 33.50 33.15 1pw4 n PRO 251 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1pw4 n ASN 252 N -1.77 -1.03 -0.24 2.55 4.05 -1.23 -4.64 115.26 112.95 1pw4 n ASN 252 Ca 0.00 -0.84 0.28 0.00 0.45 0.00 0.00 54.58 54.48 1pw4 n ASN 252 Cb 0.00 -1.02 0.44 0.00 1.23 0.00 0.00 39.78 40.43 1pw4 n ASN 252 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1pw4 n LYS 253 N -3.48 0.01 0.06 1.20 5.02 -1.26 0.46 118.16 120.17 1pw4 n LYS 253 Ca -0.14 0.96 -0.11 0.00 -2.02 0.00 0.00 58.31 57.00 1pw4 n LYS 253 Cb 0.41 -2.38 -0.08 0.00 -0.02 0.00 0.00 35.03 32.96 1pw4 n LYS 253 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1pw4 h LEU 254 N 0.00 -0.18 -1.52 -0.35 3.38 -1.95 -3.06 115.31 111.62 1pw4 h LEU 254 Ca 0.50 -0.36 0.14 0.00 0.09 0.00 0.00 57.88 58.25 1pw4 h LEU 254 Cb 2.83 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 43.58 1pw4 h LEU 254 CO -0.01 0.36 0.50 0.25 0.09 0.00 0.00 178.44 179.64 1pw4 h LEU 255 N -0.83 0.45 -0.25 1.67 5.85 -0.29 -1.26 115.31 120.65 1pw4 h LEU 255 Ca -0.02 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1pw4 h LEU 255 Cb 0.53 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1pw4 h LEU 255 CO 0.04 0.24 0.07 -0.50 -0.34 0.00 0.00 178.44 177.94 1pw4 h TRP 256 N 0.48 0.12 -0.52 1.25 4.06 -1.48 -1.90 115.95 117.97 1pw4 h TRP 256 Ca 0.37 0.01 0.05 0.00 2.06 0.00 0.00 58.89 61.38 1pw4 h TRP 256 Cb 0.76 -0.02 -0.05 0.00 -1.00 0.00 0.00 29.16 28.86 1pw4 h TRP 256 CO -0.00 0.05 0.26 1.88 -3.56 0.00 0.00 178.44 177.07 1pw4 h TYR 257 N 0.17 0.47 -0.09 0.49 0.05 -1.12 0.31 116.97 117.25 1pw4 h TYR 257 Ca 0.11 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.85 1pw4 h TYR 257 Cb 0.10 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 1pw4 h TYR 257 CO -0.14 0.23 -0.25 -0.84 -1.05 0.00 0.00 178.16 176.11 1pw4 h ILE 258 N 0.50 1.22 0.01 -2.88 3.07 -1.45 0.33 117.51 118.30 1pw4 h ILE 258 Ca 0.23 -1.02 -0.00 0.00 1.55 0.00 0.00 64.86 65.62 1pw4 h ILE 258 Cb 0.14 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 38.12 1pw4 h ILE 258 CO -0.16 0.30 -0.00 0.00 -1.05 0.00 0.00 178.15 177.24 1pw4 h ALA 259 N 1.61 -0.01 0.00 0.16 0.00 -0.47 1.03 119.26 121.58 1pw4 h ALA 259 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1pw4 h ALA 259 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1pw4 h ALA 259 CO 0.04 -0.23 0.00 0.97 0.00 0.00 0.00 179.25 180.03 1pw4 h ILE 260 N -0.57 0.00 0.03 0.00 6.09 -0.26 -1.74 117.51 121.05 1pw4 h ILE 260 Ca -0.00 -0.16 -0.15 0.00 -1.37 0.00 0.00 64.86 63.17 1pw4 h ILE 260 Cb 0.56 0.93 -0.01 0.00 0.47 0.00 0.00 36.82 38.76 1pw4 h ILE 260 CO 0.00 0.00 -0.81 0.00 -3.07 0.00 0.00 178.15 174.28 1pw4 h ALA 261 N 2.07 0.14 -0.97 0.18 0.00 -0.52 -3.35 119.26 116.81 1pw4 h ALA 261 Ca 0.00 -0.91 0.23 0.00 0.00 0.00 0.00 54.91 54.23 1pw4 h ALA 261 Cb 0.20 0.40 -0.12 0.00 0.00 0.00 0.00 17.79 18.27 1pw4 h ALA 261 CO 0.00 0.45 0.54 -0.97 0.00 0.00 0.00 179.25 179.28 1pw4 h ASN 262 N -0.85 0.61 -0.44 0.00 -0.00 0.20 -1.92 115.58 113.17 1pw4 h ASN 262 Ca -0.20 0.13 0.04 0.00 -0.00 0.00 0.00 56.30 56.27 1pw4 h ASN 262 Cb 1.29 0.04 -0.06 0.00 -0.00 0.00 0.00 38.32 39.59 1pw4 h ASN 262 CO -0.07 0.11 -0.29 0.58 -0.00 0.00 0.00 177.43 177.76 1pw4 h VAL 263 N 0.57 0.00 -0.02 2.57 2.07 -1.58 0.16 116.25 120.02 1pw4 h VAL 263 Ca 0.61 0.00 0.01 0.00 0.82 0.00 0.00 66.70 68.13 1pw4 h VAL 263 Cb 1.11 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1pw4 h VAL 263 CO -0.47 0.00 0.03 -0.26 0.02 0.00 0.00 177.57 176.89 1pw4 h PHE 264 N -0.04 0.00 0.02 1.57 0.04 -1.53 0.40 116.94 117.40 1pw4 h PHE 264 Ca 0.07 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 1pw4 h PHE 264 Cb 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1pw4 h PHE 264 CO -0.92 0.00 -0.01 0.28 -0.60 0.00 0.00 178.31 177.06 1pw4 h VAL 265 N 0.00 1.30 0.00 -0.55 2.07 -0.60 -1.36 116.25 117.10 1pw4 h VAL 265 Ca 0.01 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 1pw4 h VAL 265 Cb 0.07 1.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1pw4 h VAL 265 CO -0.00 0.26 -0.16 1.88 0.02 0.00 0.00 177.57 179.57 1pw4 h TYR 266 N -0.47 0.00 0.01 1.57 0.99 0.22 -1.98 116.97 117.31 1pw4 h TYR 266 Ca -0.00 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.53 1pw4 h TYR 266 Cb 0.44 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.16 1pw4 h TYR 266 CO 0.07 0.16 -0.89 1.25 -0.00 0.00 0.00 178.16 178.76 1pw4 h LEU 267 N 0.00 0.27 -0.47 3.88 5.85 -0.74 -1.39 115.31 122.71 1pw4 h LEU 267 Ca -0.00 -0.22 -0.15 0.00 0.84 0.00 0.00 57.88 58.35 1pw4 h LEU 267 Cb 0.33 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1pw4 h LEU 267 CO 0.02 1.03 -0.31 0.25 -0.34 0.00 0.00 178.44 179.09 1pw4 h LEU 268 N 0.11 0.98 0.77 2.25 7.12 -0.57 -0.14 115.31 125.83 1pw4 h LEU 268 Ca -0.05 -0.41 -0.04 0.00 0.13 0.00 0.00 57.88 57.52 1pw4 h LEU 268 Cb 1.52 -0.27 0.01 0.00 -0.53 0.00 0.00 40.66 41.39 1pw4 h LEU 268 CO 0.14 1.20 -0.37 -0.09 -0.13 0.00 0.00 178.44 179.19 1pw4 h ARG 269 N 0.78 -0.99 -0.11 1.25 2.43 -1.30 -2.81 114.38 113.62 1pw4 h ARG 269 Ca 0.08 0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 59.19 1pw4 h ARG 269 Cb 0.89 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1pw4 h ARG 269 CO 0.08 -0.65 -0.44 1.88 -1.51 0.00 0.00 179.97 179.33 1pw4 h TYR 270 N -1.24 0.65 -0.89 2.20 0.99 -1.34 -1.61 116.97 115.74 1pw4 h TYR 270 Ca -0.11 -0.28 0.02 0.00 2.00 0.00 0.00 58.73 60.37 1pw4 h TYR 270 Cb 0.80 -0.11 -0.05 0.00 1.00 0.00 0.00 36.73 38.37 1pw4 h TYR 270 CO -0.00 1.04 0.58 0.78 -0.00 0.00 0.00 178.16 180.56 1pw4 h GLY 271 N 0.09 1.28 0.97 3.88 0.00 -1.08 0.51 103.07 108.71 1pw4 h GLY 271 Ca -0.02 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.75 1pw4 h GLY 271 CO 0.09 0.41 -0.20 1.19 0.00 0.00 0.00 176.54 178.04 1pw4 h ILE 272 N 1.16 1.29 -0.14 2.60 2.10 -1.53 -3.26 117.51 119.73 1pw4 h ILE 272 Ca 0.34 -1.33 -0.16 0.00 1.08 0.00 0.00 64.86 64.79 1pw4 h ILE 272 Cb -0.05 1.43 -0.01 0.00 -1.09 0.00 0.00 36.82 37.10 1pw4 h ILE 272 CO -0.10 0.43 -0.60 0.25 -1.08 0.00 0.00 178.15 177.05 1pw4 h LEU 273 N 0.49 0.55 -0.48 2.19 5.85 -0.62 -2.19 115.31 121.10 1pw4 h LEU 273 Ca 0.07 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1pw4 h LEU 273 Cb 0.74 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1pw4 h LEU 273 CO 0.06 1.02 -0.05 0.44 -0.34 0.00 0.00 178.44 179.56 1pw4 h ASP 274 N 0.36 0.00 0.50 1.25 3.32 -0.11 -3.02 116.42 118.72 1pw4 h ASP 274 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1pw4 h ASP 274 Cb 1.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1pw4 h ASP 274 CO 0.11 0.05 -1.56 0.79 -1.72 0.00 0.00 179.24 176.92 1pw4 n TRP 275 N -3.13 0.56 -0.24 4.55 8.01 -1.23 -4.58 117.44 121.38 1pw4 n TRP 275 Ca 0.03 0.17 0.09 0.00 -1.31 0.00 0.00 57.50 56.48 1pw4 n TRP 275 Cb 0.48 -0.84 0.18 0.00 -2.01 0.00 0.00 31.31 29.12 1pw4 n TRP 275 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 1pw4 n SER 276 N -2.59 -0.11 -0.01 -0.99 7.64 -0.82 0.28 113.62 117.01 1pw4 n SER 276 Ca -0.07 1.17 -0.16 0.00 1.01 0.00 0.00 58.87 60.82 1pw4 n SER 276 Cb 0.68 -0.41 -0.12 0.00 -1.01 0.00 0.00 64.21 63.34 1pw4 n SER 276 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1pw4 h PRO 277 N 0.00 0.23 -0.60 1.43 0.13 -1.81 -3.07 132.00 128.32 1pw4 h PRO 277 Ca 0.40 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1pw4 h PRO 277 Cb 0.79 0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.98 1pw4 h PRO 277 CO -0.66 1.03 0.38 0.00 -0.23 0.00 0.00 178.00 178.53 1pw4 h THR 278 N -0.44 1.16 -0.43 1.56 1.03 -0.45 -2.96 112.91 112.39 1pw4 h THR 278 Ca -0.06 -0.32 -0.13 0.00 -0.01 0.00 0.00 66.41 65.89 1pw4 h THR 278 Cb 1.20 0.30 -0.01 0.00 -1.07 0.00 0.00 68.15 68.57 1pw4 h THR 278 CO 0.08 0.16 -0.25 0.22 -0.01 0.00 0.00 175.52 175.73 1pw4 h TYR 279 N 0.81 1.03 -3.95 0.00 3.20 -0.45 -3.28 116.97 114.33 1pw4 h TYR 279 Ca 0.22 -0.25 -0.51 0.00 3.14 0.00 0.00 58.73 61.32 1pw4 h TYR 279 Cb -0.07 -0.24 0.06 0.00 1.54 0.00 0.00 36.73 38.03 1pw4 h TYR 279 CO -0.03 1.04 0.54 -0.51 -1.64 0.00 0.00 178.16 177.56 1pw4 s LEU 280 N -8.97 4.18 -0.56 2.82 1.43 -1.12 -2.07 118.68 114.40 1pw4 s LEU 280 Ca -0.10 2.45 0.00 0.00 -1.03 0.00 0.00 54.13 55.44 1pw4 s LEU 280 Cb 0.12 -4.01 0.00 0.00 0.03 0.00 0.00 46.19 42.34 1pw4 s LEU 280 CO 0.86 -0.77 0.00 1.17 0.23 0.00 0.00 176.35 177.84 1pw4 n LYS 281 N 0.03 -0.60 -0.04 1.70 4.81 -1.24 -4.74 118.16 118.08 1pw4 n LYS 281 Ca 0.04 0.58 -0.09 0.00 -0.87 0.00 0.00 58.31 57.98 1pw4 n LYS 281 Cb 0.46 -4.32 -0.03 0.00 0.02 0.00 0.00 35.03 31.15 1pw4 n LYS 281 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1pw4 n GLU 282 N -2.37 0.22 -4.37 1.64 2.13 -0.88 -4.86 120.64 112.15 1pw4 n GLU 282 Ca -0.05 0.10 -0.19 0.00 0.66 0.00 0.00 57.16 57.67 1pw4 n GLU 282 Cb 0.23 -0.88 -0.10 0.00 0.27 0.00 0.00 31.44 30.96 1pw4 n GLU 282 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1pw4 s VAL 283 N -2.25 1.36 -1.58 6.31 1.01 -1.16 -4.77 120.40 119.32 1pw4 s VAL 283 Ca -0.14 -2.08 -0.13 0.00 0.00 0.00 0.00 61.98 59.63 1pw4 s VAL 283 Cb 0.05 -2.36 0.10 0.00 0.00 0.00 0.00 36.38 34.16 1pw4 s VAL 283 CO 0.18 -0.34 0.76 0.29 0.00 0.00 0.00 175.10 176.00 1pw4 n LYS 284 N -0.49 -3.91 -2.90 2.72 5.02 -1.26 -4.40 118.16 112.94 1pw4 n LYS 284 Ca -0.06 0.45 -0.44 0.00 -2.02 0.00 0.00 58.31 56.25 1pw4 n LYS 284 Cb 0.63 -5.09 -0.02 0.00 -0.02 0.00 0.00 35.03 30.53 1pw4 n LYS 284 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1pw4 s HIS 285 N -3.44 3.13 -0.15 2.13 -3.43 -1.26 -3.61 115.29 108.66 1pw4 s HIS 285 Ca 0.54 -1.46 -0.11 0.00 -0.80 0.00 0.00 55.06 53.24 1pw4 s HIS 285 Cb -0.29 -4.31 -0.04 0.00 -1.43 0.00 0.00 32.58 26.51 1pw4 s HIS 285 CO 0.89 -1.51 -0.21 0.34 -2.00 0.00 0.00 174.74 172.26 1pw4 n PHE 286 N 6.58 0.76 -3.56 0.38 7.35 -1.26 -4.83 117.46 122.88 1pw4 n PHE 286 Ca 0.26 0.33 -0.09 0.00 -0.76 0.00 0.00 57.45 57.20 1pw4 n PHE 286 Cb 0.48 -0.72 -0.04 0.00 0.35 0.00 0.00 39.48 39.55 1pw4 n PHE 286 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1pw4 s ALA 287 N -2.77 -1.94 0.22 3.13 0.00 -1.26 -5.01 121.76 114.14 1pw4 s ALA 287 Ca -0.17 1.46 -0.03 0.00 0.00 0.00 0.00 51.96 53.22 1pw4 s ALA 287 Cb 0.02 -0.40 0.22 0.00 0.00 0.00 0.00 23.12 22.97 1pw4 s ALA 287 CO 0.25 -0.44 1.64 1.25 0.00 0.00 0.00 175.76 178.46 1pw4 h LEU 288 N 2.31 0.73 -0.15 0.00 7.12 -1.98 -2.20 115.31 121.13 1pw4 h LEU 288 Ca -0.17 -0.27 0.02 0.00 0.13 0.00 0.00 57.88 57.59 1pw4 h LEU 288 Cb 1.18 -0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 41.08 1pw4 h LEU 288 CO 0.29 0.95 -0.22 -0.78 -0.13 0.00 0.00 178.44 178.55 1pw4 h ASP 289 N 0.62 -0.72 0.44 1.25 3.58 -1.99 -2.28 116.42 117.32 1pw4 h ASP 289 Ca 0.08 0.09 -0.15 0.00 0.42 0.00 0.00 57.03 57.48 1pw4 h ASP 289 Cb 0.74 0.29 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 1pw4 h ASP 289 CO 0.06 -0.16 -0.65 0.11 -2.88 0.00 0.00 179.24 175.73 1pw4 h LYS 290 N -0.16 0.19 -0.38 0.28 1.57 -1.98 -3.04 116.57 113.05 1pw4 h LYS 290 Ca 0.03 -0.14 0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1pw4 h LYS 290 Cb 0.23 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.49 1pw4 h LYS 290 CO -0.23 0.77 -0.52 1.03 -0.57 0.00 0.00 179.45 179.93 1pw4 h SER 291 N 0.14 -1.74 0.92 0.86 0.87 -1.10 -1.36 113.55 112.14 1pw4 h SER 291 Ca -0.01 0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.74 1pw4 h SER 291 Cb 1.16 0.71 -0.01 0.00 -0.44 0.00 0.00 62.40 63.83 1pw4 h SER 291 CO 0.10 -0.37 -0.19 0.28 -0.53 0.00 0.00 176.83 176.11 1pw4 h SER 292 N -0.37 0.00 0.60 6.23 0.02 -1.49 -2.30 113.55 116.23 1pw4 h SER 292 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1pw4 h SER 292 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1pw4 h SER 292 CO -0.56 0.19 0.00 1.87 -1.14 0.00 0.00 176.83 177.19 1pw4 n TRP 293 N -3.36 0.00 -0.11 3.45 -0.00 -0.60 -2.83 117.44 114.00 1pw4 n TRP 293 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.50 57.26 1pw4 n TRP 293 Cb 0.41 -0.35 -0.11 0.00 -0.00 0.00 0.00 31.31 31.25 1pw4 n TRP 293 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1pw4 n ALA 294 N -1.35 1.00 -0.33 5.87 0.00 -0.70 -3.39 120.51 121.62 1pw4 n ALA 294 Ca 0.10 -0.77 0.12 0.00 0.00 0.00 0.00 53.44 52.89 1pw4 n ALA 294 Cb 0.23 -0.29 0.30 0.00 0.00 0.00 0.00 19.45 19.69 1pw4 n ALA 294 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1pw4 h TYR 295 N -0.78 0.89 0.79 0.00 -0.00 -1.50 0.80 116.97 117.18 1pw4 h TYR 295 Ca -0.51 0.04 -0.04 0.00 -0.00 0.00 0.00 58.73 58.22 1pw4 h TYR 295 Cb 1.56 -0.25 0.01 0.00 -0.00 0.00 0.00 36.73 38.05 1pw4 h TYR 295 CO 0.02 0.13 -0.38 0.35 -0.00 0.00 0.00 178.16 178.28 1pw4 h PHE 296 N 0.62 -0.99 -1.11 -3.82 3.57 -1.69 -2.59 116.94 110.93 1pw4 h PHE 296 Ca 0.56 -0.02 0.32 0.00 3.53 0.00 0.00 57.97 62.35 1pw4 h PHE 296 Cb 0.92 0.33 -0.11 0.00 2.79 0.00 0.00 35.95 39.88 1pw4 h PHE 296 CO -0.06 -0.61 0.70 -0.07 -2.23 0.00 0.00 178.31 176.04 1pw4 h LEU 297 N -1.08 0.41 0.16 0.59 3.38 -0.72 -0.85 115.31 117.20 1pw4 h LEU 297 Ca -0.11 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1pw4 h LEU 297 Cb 0.82 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1pw4 h LEU 297 CO 0.18 -0.02 -0.08 0.22 0.09 0.00 0.00 178.44 178.83 1pw4 h TYR 298 N 0.31 -0.20 -0.41 1.13 3.20 0.58 -0.82 116.97 120.75 1pw4 h TYR 298 Ca 0.68 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.46 1pw4 h TYR 298 Cb 1.82 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 40.14 1pw4 h TYR 298 CO -0.00 0.23 -0.11 1.49 -1.64 0.00 0.00 178.16 178.13 1pw4 h GLU 299 N -0.74 0.73 -0.03 1.82 4.81 -0.99 -2.66 114.58 117.52 1pw4 h GLU 299 Ca -0.02 -0.23 -0.17 0.00 -0.13 0.00 0.00 59.36 58.81 1pw4 h GLU 299 Cb 0.52 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1pw4 h GLU 299 CO 0.04 0.81 -0.74 1.88 -0.73 0.00 0.00 179.01 180.27 1pw4 h TYR 300 N 0.66 0.25 0.00 0.92 -1.99 -1.27 -3.20 116.97 112.34 1pw4 h TYR 300 Ca 0.11 -0.12 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1pw4 h TYR 300 Cb 0.57 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.26 1pw4 h TYR 300 CO 0.03 0.85 0.00 0.00 -0.00 0.00 0.00 178.16 179.04 1pw4 n ALA 301 N -2.46 1.74 0.07 3.88 0.00 -0.31 -2.39 120.51 121.04 1pw4 n ALA 301 Ca -0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 1pw4 n ALA 301 Cb 0.71 -1.26 0.16 0.00 0.00 0.00 0.00 19.45 19.06 1pw4 n ALA 301 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1pw4 h GLY 302 N 2.77 0.35 -0.04 0.00 0.00 -1.54 -3.28 103.07 101.34 1pw4 h GLY 302 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.00 1pw4 h GLY 302 CO 0.00 0.33 -0.45 -2.22 0.00 0.00 0.00 176.54 174.20 1pw4 h ILE 303 N 0.26 0.11 -0.58 2.60 2.04 -1.69 -0.20 117.51 120.06 1pw4 h ILE 303 Ca 0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 1pw4 h ILE 303 Cb 0.93 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1pw4 h ILE 303 CO 0.08 0.00 0.19 -0.65 0.00 0.00 0.00 178.15 177.77 1pw4 h PRO 304 N -0.51 0.90 0.00 2.37 0.11 -1.78 -2.26 132.00 130.83 1pw4 h PRO 304 Ca 0.07 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1pw4 h PRO 304 Cb 0.64 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1pw4 h PRO 304 CO -0.42 0.80 0.00 0.41 -0.21 0.00 0.00 178.00 178.58 1pw4 n GLY 305 N -0.73 -2.48 0.34 -0.55 0.00 -1.07 -1.59 105.19 99.11 1pw4 n GLY 305 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 1pw4 n GLY 305 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1pw4 n THR 306 N -1.70 -0.46 -0.27 2.61 5.66 -0.11 0.27 114.28 120.29 1pw4 n THR 306 Ca 0.00 2.06 0.07 0.00 -3.05 0.00 0.00 64.05 63.13 1pw4 n THR 306 Cb 0.00 -2.73 0.20 0.00 -1.55 0.00 0.00 70.33 66.25 1pw4 n THR 306 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1pw4 h LEU 307 N 0.00 -0.22 -0.23 1.09 5.85 -1.41 -1.37 115.31 119.02 1pw4 h LEU 307 Ca 0.32 0.19 -0.19 0.00 0.84 0.00 0.00 57.88 59.03 1pw4 h LEU 307 Cb 0.54 0.31 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1pw4 h LEU 307 CO -0.88 -0.16 -0.61 0.25 -0.34 0.00 0.00 178.44 176.70 1pw4 h LEU 308 N 0.15 0.94 -1.59 2.25 7.12 0.49 -2.87 115.31 121.80 1pw4 h LEU 308 Ca 0.45 -0.57 0.25 0.00 0.13 0.00 0.00 57.88 58.15 1pw4 h LEU 308 Cb 0.84 -0.27 -0.07 0.00 -0.53 0.00 0.00 40.66 40.62 1pw4 h LEU 308 CO -0.65 1.34 0.66 0.00 -0.13 0.00 0.00 178.44 179.66 1pw4 h GLY 310 N 0.29 -0.43 0.99 0.00 0.00 -1.09 -2.57 103.07 100.26 1pw4 h GLY 310 Ca 0.52 0.16 -0.01 0.00 0.00 0.00 0.00 47.33 48.00 1pw4 h GLY 310 CO -0.17 -0.16 0.32 -0.25 0.00 0.00 0.00 176.54 176.28 1pw4 h TRP 311 N -0.95 0.78 -1.01 5.60 7.01 -1.21 -1.05 115.95 125.13 1pw4 h TRP 311 Ca -0.04 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 60.97 1pw4 h TRP 311 Cb 0.50 -0.25 -0.06 0.00 -2.10 0.00 0.00 29.16 27.26 1pw4 h TRP 311 CO 0.04 0.56 0.66 1.98 -2.79 0.00 0.00 178.44 178.89 1pw4 h MET 312 N 0.77 1.26 -0.47 2.65 4.05 -0.67 0.13 114.93 122.67 1pw4 h MET 312 Ca 0.20 -0.08 -0.08 0.00 -0.28 0.00 0.00 59.70 59.46 1pw4 h MET 312 Cb 0.04 -0.29 -0.02 0.00 -0.80 0.00 0.00 31.60 30.53 1pw4 h MET 312 CO -0.03 0.84 -0.05 1.03 0.23 0.00 0.00 176.91 178.92 1pw4 h SER 313 N 1.30 0.79 0.04 1.39 0.87 -0.97 0.29 113.55 117.26 1pw4 h SER 313 Ca 0.39 -0.21 -0.09 0.00 -1.23 0.00 0.00 61.79 60.65 1pw4 h SER 313 Cb -0.05 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 61.71 1pw4 h SER 313 CO -0.11 0.89 -0.37 -0.78 -0.53 0.00 0.00 176.83 175.93 1pw4 h ASP 314 N 0.74 0.25 0.15 6.23 1.82 -0.63 -2.89 116.42 122.09 1pw4 h ASP 314 Ca 0.14 -0.89 -0.25 0.00 -0.39 0.00 0.00 57.03 55.63 1pw4 h ASP 314 Cb 0.53 -0.08 0.03 0.00 0.68 0.00 0.00 39.33 40.48 1pw4 h ASP 314 CO 0.03 1.12 -1.09 0.50 -1.61 0.00 0.00 179.24 178.19 1pw4 h LYS 315 N -0.58 0.47 0.10 0.28 1.63 -0.81 -3.19 116.57 114.48 1pw4 h LYS 315 Ca -0.06 -0.71 -0.34 0.00 -0.85 0.00 0.00 60.65 58.69 1pw4 h LYS 315 Cb 1.21 0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 33.07 1pw4 h LYS 315 CO 0.07 1.32 -1.86 0.28 -3.45 0.00 0.00 179.45 175.81 1pw4 n VAL 316 N -3.94 1.73 0.57 2.00 0.31 0.07 -4.20 118.33 114.87 1pw4 n VAL 316 Ca -0.14 -0.52 0.09 0.00 -0.01 0.00 0.00 64.34 63.76 1pw4 n VAL 316 Cb 0.93 -1.80 0.25 0.00 -0.91 0.00 0.00 33.84 32.31 1pw4 n VAL 316 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1pw4 n PHE 317 N -3.69 0.55 -4.09 3.52 0.99 -1.13 -4.95 117.46 108.66 1pw4 n PHE 317 Ca -0.32 -0.27 -0.28 0.00 -0.00 0.00 0.00 57.45 56.57 1pw4 n PHE 317 Cb 0.97 0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 39.41 1pw4 n PHE 317 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1pw4 n ARG 318 N 0.91 -2.62 -1.00 -1.08 1.74 -1.20 -2.22 116.66 111.19 1pw4 n ARG 318 Ca 0.17 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 1pw4 n ARG 318 Cb 0.43 -4.36 0.00 0.00 -1.02 0.00 0.00 32.46 27.51 1pw4 n ARG 318 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pw4 n GLY 319 N -2.05 0.54 3.48 -0.13 0.00 -1.09 -5.01 105.19 100.92 1pw4 n GLY 319 Ca -0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 1pw4 n GLY 319 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pw4 s ASN 320 N -2.12 6.27 0.06 1.61 3.84 -0.94 -4.93 114.94 118.72 1pw4 s ASN 320 Ca 0.00 -0.69 -0.16 0.00 0.21 0.00 0.00 52.86 52.22 1pw4 s ASN 320 Cb 0.00 -2.35 -0.18 0.00 -0.55 0.00 0.00 41.25 38.18 1pw4 s ASN 320 CO 0.00 -1.02 1.24 0.03 -2.79 0.00 0.00 177.10 174.56 1pw4 h ARG 321 N 9.11 0.60 -0.30 0.43 -0.00 -1.90 -3.14 114.38 119.17 1pw4 h ARG 321 Ca -0.27 -0.50 0.06 0.00 -0.50 0.00 0.00 59.98 58.77 1pw4 h ARG 321 Cb 1.09 0.11 -0.05 0.00 0.00 0.00 0.00 29.97 31.11 1pw4 h ARG 321 CO 1.01 1.12 -0.03 0.78 0.00 0.00 0.00 179.97 182.85 1pw4 h GLY 322 N 0.23 0.27 1.99 0.04 0.00 -1.91 -2.28 103.07 101.41 1pw4 h GLY 322 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1pw4 h GLY 322 CO 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 176.54 176.58 1pw4 h ALA 323 N 1.28 1.41 0.07 3.60 0.00 -1.92 -1.23 119.26 122.46 1pw4 h ALA 323 Ca 0.15 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.80 1pw4 h ALA 323 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1pw4 h ALA 323 CO -0.27 -0.01 -1.22 1.15 0.00 0.00 0.00 179.25 178.91 1pw4 h THR 324 N 0.00 1.50 -0.50 0.00 2.02 -1.37 -2.01 112.91 112.55 1pw4 h THR 324 Ca 0.00 -3.15 -0.06 0.00 0.77 0.00 0.00 66.41 63.97 1pw4 h THR 324 Cb 0.01 2.85 -0.02 0.00 -1.74 0.00 0.00 68.15 69.25 1pw4 h THR 324 CO -0.00 0.89 0.08 1.23 0.37 0.00 0.00 175.52 178.09 1pw4 h GLY 325 N 2.27 0.89 0.49 2.16 0.00 -0.95 0.85 103.07 108.79 1pw4 h GLY 325 Ca -0.11 -0.60 0.04 0.00 0.00 0.00 0.00 47.33 46.66 1pw4 h GLY 325 CO 0.16 0.56 -0.12 -2.08 0.00 0.00 0.00 176.54 175.06 1pw4 h VAL 326 N 0.71 0.65 -0.08 4.60 2.07 -1.13 4.99 116.25 128.06 1pw4 h VAL 326 Ca 0.15 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.69 1pw4 h VAL 326 Cb 0.40 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1pw4 h VAL 326 CO 0.01 0.00 -0.04 0.15 0.02 0.00 0.00 177.57 177.71 1pw4 h PHE 327 N -0.13 -0.10 0.03 1.57 3.04 -1.04 0.72 116.94 121.03 1pw4 h PHE 327 Ca 0.10 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.06 1pw4 h PHE 327 Cb 0.28 0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.85 1pw4 h PHE 327 CO -0.26 -0.07 -0.02 0.74 -2.02 0.00 0.00 178.31 176.68 1pw4 h PHE 328 N -0.04 -0.04 -0.99 0.41 -1.00 -0.23 -2.35 116.94 112.71 1pw4 h PHE 328 Ca 0.05 -0.00 0.14 0.00 2.81 0.00 0.00 57.97 60.97 1pw4 h PHE 328 Cb 0.11 0.01 -0.09 0.00 3.61 0.00 0.00 35.95 39.60 1pw4 h PHE 328 CO -0.15 0.52 0.62 0.52 -1.61 0.00 0.00 178.31 178.20 1pw4 h MET 329 N -0.64 0.85 -0.04 1.51 2.86 1.01 0.12 114.93 120.60 1pw4 h MET 329 Ca -0.00 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1pw4 h MET 329 Cb 0.58 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1pw4 h MET 329 CO 0.01 0.56 0.01 1.15 1.06 0.00 0.00 176.91 179.70 1pw4 h THR 330 N 0.87 1.14 -0.41 2.22 2.02 -0.88 -2.53 112.91 115.34 1pw4 h THR 330 Ca 0.51 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 67.29 1pw4 h THR 330 Cb 0.65 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 1pw4 h THR 330 CO -0.28 0.11 0.27 -0.07 0.37 0.00 0.00 175.52 175.91 1pw4 h LEU 331 N -0.10 0.47 -0.44 2.58 3.38 -0.39 -1.75 115.31 119.06 1pw4 h LEU 331 Ca 0.01 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1pw4 h LEU 331 Cb 0.17 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1pw4 h LEU 331 CO -0.00 0.35 -0.16 -0.37 0.09 0.00 0.00 178.44 178.34 1pw4 h VAL 332 N 0.56 1.27 -0.47 1.22 -1.51 -0.72 -3.13 116.25 113.48 1pw4 h VAL 332 Ca 0.15 -1.30 -0.06 0.00 -1.23 0.00 0.00 66.70 64.26 1pw4 h VAL 332 Cb -0.06 1.18 -0.02 0.00 -2.13 0.00 0.00 31.29 30.27 1pw4 h VAL 332 CO -0.03 0.44 0.07 0.74 -1.23 0.00 0.00 177.57 177.56 1pw4 h THR 333 N 0.73 1.25 -0.75 7.19 2.02 -0.98 -0.98 112.91 121.38 1pw4 h THR 333 Ca 0.10 -0.92 0.04 0.00 0.77 0.00 0.00 66.41 66.41 1pw4 h THR 333 Cb 0.72 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 68.02 1pw4 h THR 333 CO 0.06 0.33 0.46 -0.29 0.37 0.00 0.00 175.52 176.44 1pw4 h ILE 334 N 0.64 1.06 -0.10 3.11 2.10 -1.37 -2.47 117.51 120.48 1pw4 h ILE 334 Ca 0.14 -0.30 -0.03 0.00 1.08 0.00 0.00 64.86 65.75 1pw4 h ILE 334 Cb 0.40 0.11 -0.00 0.00 -1.09 0.00 0.00 36.82 36.24 1pw4 h ILE 334 CO 0.01 0.16 -0.05 0.00 -1.08 0.00 0.00 178.15 177.19 1pw4 h ALA 335 N 1.34 0.14 -0.96 0.18 0.00 -1.44 -2.81 119.26 115.71 1pw4 h ALA 335 Ca 0.32 -0.26 0.19 0.00 0.00 0.00 0.00 54.91 55.16 1pw4 h ALA 335 Cb 0.09 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.74 1pw4 h ALA 335 CO -0.14 -0.09 0.54 1.15 0.00 0.00 0.00 179.25 180.71 1pw4 h THR 336 N -0.17 0.65 -0.05 0.00 2.02 -0.94 -0.99 112.91 113.44 1pw4 h THR 336 Ca 0.02 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 66.88 1pw4 h THR 336 Cb 0.52 -0.06 0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1pw4 h THR 336 CO 0.02 0.12 -0.35 0.16 0.37 0.00 0.00 175.52 175.84 1pw4 h ILE 337 N 0.66 1.44 -0.69 3.11 3.07 -1.42 0.05 117.51 123.72 1pw4 h ILE 337 Ca 0.56 -1.80 0.09 0.00 1.55 0.00 0.00 64.86 65.26 1pw4 h ILE 337 Cb 0.92 2.42 -0.07 0.00 -0.27 0.00 0.00 36.82 39.81 1pw4 h ILE 337 CO -0.41 0.52 0.33 1.62 -1.05 0.00 0.00 178.15 179.16 1pw4 h VAL 338 N -0.19 0.84 0.00 0.16 3.04 -1.20 0.84 116.25 119.75 1pw4 h VAL 338 Ca -0.03 -0.20 -0.02 0.00 -1.01 0.00 0.00 66.70 65.45 1pw4 h VAL 338 Cb 1.02 0.22 -0.00 0.00 -2.01 0.00 0.00 31.29 30.52 1pw4 h VAL 338 CO 0.07 0.10 -0.09 1.88 -1.01 0.00 0.00 177.57 178.52 1pw4 h TYR 339 N 0.57 0.00 -0.33 3.17 0.99 -1.20 -1.30 116.97 118.88 1pw4 h TYR 339 Ca 0.34 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.91 1pw4 h TYR 339 Cb 0.36 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.08 1pw4 h TYR 339 CO -0.12 0.09 -0.43 2.35 -0.00 0.00 0.00 178.16 180.05 1pw4 h TRP 340 N 0.00 1.01 -2.58 4.88 -0.00 0.26 -3.35 115.95 116.17 1pw4 h TRP 340 Ca -0.00 -0.32 -0.70 0.00 -0.00 0.00 0.00 58.89 57.87 1pw4 h TRP 340 Cb 0.53 -0.21 -0.19 0.00 -0.00 0.00 0.00 29.16 29.29 1pw4 h TRP 340 CO 0.00 1.12 0.75 -1.64 -0.00 0.00 0.00 178.44 178.66 1pw4 s MET 341 N -4.29 3.60 -0.28 2.65 -1.94 0.94 -4.93 119.30 115.06 1pw4 s MET 341 Ca -0.10 -1.86 -0.20 0.00 -1.71 0.00 0.00 55.69 51.83 1pw4 s MET 341 Cb 0.11 -4.86 0.08 0.00 2.01 0.00 0.00 34.83 32.17 1pw4 s MET 341 CO 0.87 -1.71 0.72 -0.80 -0.01 0.00 0.00 175.02 174.09 1pw4 s ASN 342 N 3.45 -0.84 0.20 3.03 0.01 -1.26 -4.87 114.94 114.65 1pw4 s ASN 342 Ca 0.31 1.45 0.00 0.00 -0.71 0.00 0.00 52.86 53.91 1pw4 s ASN 342 Cb -0.05 1.40 0.00 0.00 0.41 0.00 0.00 41.25 43.01 1pw4 s ASN 342 CO -0.09 -0.24 0.00 -0.81 -1.51 0.00 0.00 177.10 174.45 1pw4 n PRO 343 N 3.58 0.93 0.00 -0.60 -0.04 -1.26 -4.91 135.00 132.71 1pw4 n PRO 343 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1pw4 n PRO 343 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1pw4 n PRO 343 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pw4 n ALA 344 N -3.00 1.71 -1.11 0.55 0.00 -1.26 -1.68 120.51 115.72 1pw4 n ALA 344 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1pw4 n ALA 344 Cb 0.00 -1.00 0.23 0.00 0.00 0.00 0.00 19.45 18.68 1pw4 n ALA 344 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pw4 n GLY 345 N 0.43 4.35 0.02 0.00 0.00 -1.26 -4.64 105.19 104.10 1pw4 n GLY 345 Ca 0.00 -1.10 0.16 0.00 0.00 0.00 0.00 46.02 45.08 1pw4 n GLY 345 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pw4 n ASN 346 N -0.78 0.08 0.02 1.61 5.15 -0.68 -4.42 115.26 116.23 1pw4 n ASN 346 Ca 0.23 -1.03 -0.11 0.00 -0.60 0.00 0.00 54.58 53.07 1pw4 n ASN 346 Cb 0.89 -0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 40.09 1pw4 n ASN 346 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1pw4 h PRO 347 N 0.12 -0.40 -0.67 1.20 0.11 -1.88 -0.71 132.00 129.76 1pw4 h PRO 347 Ca 0.00 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1pw4 h PRO 347 Cb 0.03 0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1pw4 h PRO 347 CO 0.00 -0.27 0.00 2.41 -0.21 0.00 0.00 178.00 179.93 1pw4 n THR 348 N -5.41 2.13 -0.06 -1.15 -1.04 -1.26 -3.82 114.28 103.67 1pw4 n THR 348 Ca -0.04 -1.08 -0.13 0.00 -2.04 0.00 0.00 64.05 60.76 1pw4 n THR 348 Cb 0.33 -0.32 -0.05 0.00 -1.82 0.00 0.00 70.33 68.47 1pw4 n THR 348 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1pw4 n VAL 349 N 0.50 0.70 -0.10 12.58 0.31 -0.92 -4.60 118.33 126.80 1pw4 n VAL 349 Ca 0.22 -0.20 -0.04 0.00 -0.01 0.00 0.00 64.34 64.31 1pw4 n VAL 349 Cb 0.98 -1.51 0.17 0.00 -0.91 0.00 0.00 33.84 32.57 1pw4 n VAL 349 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1pw4 h ASP 350 N -0.36 0.74 -0.11 4.52 5.19 -1.28 0.58 116.42 125.69 1pw4 h ASP 350 Ca -0.31 -0.17 0.04 0.00 -0.62 0.00 0.00 57.03 55.97 1pw4 h ASP 350 Cb 1.31 -0.20 -0.05 0.00 0.18 0.00 0.00 39.33 40.57 1pw4 h ASP 350 CO -0.16 0.80 -0.20 0.24 -3.12 0.00 0.00 179.24 176.80 1pw4 h MET 351 N 0.72 -0.25 -0.36 3.56 2.86 -1.79 1.15 114.93 120.82 1pw4 h MET 351 Ca 0.14 0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.69 1pw4 h MET 351 Cb 0.44 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1pw4 h MET 351 CO 0.02 -0.17 -0.19 0.97 1.06 0.00 0.00 176.91 178.60 1pw4 h ILE 352 N -0.26 1.29 -0.54 -1.22 6.09 -1.77 -1.44 117.51 119.66 1pw4 h ILE 352 Ca 0.09 -1.32 0.11 0.00 -1.37 0.00 0.00 64.86 62.38 1pw4 h ILE 352 Cb 0.40 1.37 -0.11 0.00 0.47 0.00 0.00 36.82 38.96 1pw4 h ILE 352 CO -0.27 0.43 -0.19 0.00 -3.07 0.00 0.00 178.15 175.05 1pw4 h MET 354 N -0.06 0.21 -0.87 0.00 2.86 0.14 0.89 114.93 118.09 1pw4 h MET 354 Ca 0.25 -0.13 0.17 0.00 -2.06 0.00 0.00 59.70 57.93 1pw4 h MET 354 Cb 0.46 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.06 1pw4 h MET 354 CO -0.59 0.70 0.57 0.82 1.06 0.00 0.00 176.91 179.47 1pw4 h ILE 355 N -0.26 0.76 0.00 -1.22 2.04 -0.79 -2.11 117.51 115.94 1pw4 h ILE 355 Ca 0.01 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1pw4 h ILE 355 Cb 0.68 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1pw4 h ILE 355 CO 0.03 0.10 -0.25 0.58 0.00 0.00 0.00 178.15 178.60 1pw4 h VAL 356 N 0.54 0.49 -0.87 1.67 2.07 -0.51 -2.89 116.25 116.74 1pw4 h VAL 356 Ca 0.45 -1.42 0.10 0.00 0.82 0.00 0.00 66.70 66.65 1pw4 h VAL 356 Cb 0.92 0.97 -0.12 0.00 -1.52 0.00 0.00 31.29 31.54 1pw4 h VAL 356 CO -0.19 0.17 -0.52 0.40 0.02 0.00 0.00 177.57 177.45 1pw4 h ILE 357 N -1.00 0.01 -0.00 4.57 1.08 -0.71 -0.91 117.51 120.55 1pw4 h ILE 357 Ca -0.04 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.45 1pw4 h ILE 357 Cb 0.47 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.21 1pw4 h ILE 357 CO -0.02 0.00 -0.11 1.23 -0.69 0.00 0.00 178.15 178.56 1pw4 h GLY 358 N -0.08 -0.13 -0.77 5.37 0.00 -1.56 -2.29 103.07 103.61 1pw4 h GLY 358 Ca 0.20 0.13 0.27 0.00 0.00 0.00 0.00 47.33 47.92 1pw4 h GLY 358 CO -0.88 -0.12 0.21 0.33 0.00 0.00 0.00 176.54 176.08 1pw4 n PHE 359 N -5.24 0.69 -0.07 5.60 7.35 -0.37 -2.12 117.46 123.30 1pw4 n PHE 359 Ca -0.05 0.92 -0.05 0.00 -0.76 0.00 0.00 57.45 57.51 1pw4 n PHE 359 Cb 0.16 -1.20 -0.15 0.00 0.35 0.00 0.00 39.48 38.64 1pw4 n PHE 359 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1pw4 n LEU 360 N -4.92 0.00 -0.04 -2.13 4.77 -1.08 -3.65 117.00 109.95 1pw4 n LEU 360 Ca 0.23 0.00 0.24 0.00 -0.03 0.00 0.00 56.01 56.45 1pw4 n LEU 360 Cb 0.79 0.36 0.61 0.00 -2.33 0.00 0.00 43.42 42.85 1pw4 n LEU 360 CO -0.03 0.36 1.22 0.40 -1.33 0.00 0.00 177.39 178.01 1pw4 h ILE 361 N 0.00 0.19 0.04 -0.08 2.04 -0.87 0.43 117.51 119.27 1pw4 h ILE 361 Ca -0.40 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.21 1pw4 h ILE 361 Cb 1.89 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 1pw4 h ILE 361 CO 0.02 0.00 -1.27 0.22 0.00 0.00 0.00 178.15 177.12 1pw4 h TYR 362 N 0.00 0.16 -0.75 1.37 3.20 -1.84 -3.37 116.97 115.73 1pw4 h TYR 362 Ca 0.33 -0.12 0.07 0.00 3.14 0.00 0.00 58.73 62.15 1pw4 h TYR 362 Cb 1.91 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 40.08 1pw4 h TYR 362 CO 0.00 1.11 -0.43 0.41 -1.64 0.00 0.00 178.16 177.61 1pw4 n GLY 363 N 1.48 -1.92 0.19 1.82 0.00 0.15 0.03 105.19 106.93 1pw4 n GLY 363 Ca -0.07 0.89 0.05 0.00 0.00 0.00 0.00 46.02 46.88 1pw4 n GLY 363 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pw4 h PRO 364 N 0.00 0.00 -0.16 1.61 0.13 -1.73 -2.12 132.00 129.73 1pw4 h PRO 364 Ca 0.13 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.30 1pw4 h PRO 364 Cb 0.32 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.41 1pw4 h PRO 364 CO -0.71 0.39 -0.08 0.28 -0.23 0.00 0.00 178.00 177.65 1pw4 h VAL 365 N 0.00 0.74 -0.20 1.56 2.07 -0.57 -0.87 116.25 118.99 1pw4 h VAL 365 Ca -0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1pw4 h VAL 365 Cb 0.84 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1pw4 h VAL 365 CO 0.05 0.00 -0.22 -0.03 0.02 0.00 0.00 177.57 177.39 1pw4 h MET 366 N -0.06 0.50 -0.31 1.57 1.85 -1.31 -3.26 114.93 113.91 1pw4 h MET 366 Ca 0.09 -0.27 0.01 0.00 -0.61 0.00 0.00 59.70 58.92 1pw4 h MET 366 Cb 0.20 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.22 1pw4 h MET 366 CO -0.20 0.86 0.19 -0.07 -0.40 0.00 0.00 176.91 177.28 1pw4 h LEU 367 N 0.16 0.31 0.52 3.39 4.07 -1.23 -1.62 115.31 120.92 1pw4 h LEU 367 Ca 0.03 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 1pw4 h LEU 367 Cb 0.78 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.43 1pw4 h LEU 367 CO 0.05 0.23 -0.46 0.40 -1.08 0.00 0.00 178.44 177.58 1pw4 h ILE 368 N 0.39 0.08 -0.76 1.22 2.04 -1.28 1.08 117.51 120.28 1pw4 h ILE 368 Ca 0.12 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.09 1pw4 h ILE 368 Cb -0.02 0.08 -0.13 0.00 -0.74 0.00 0.00 36.82 36.02 1pw4 h ILE 368 CO -0.05 0.00 -0.40 1.23 0.00 0.00 0.00 178.15 178.93 1pw4 h GLY 369 N -0.98 -0.20 0.74 5.37 0.00 -1.58 1.60 103.07 108.02 1pw4 h GLY 369 Ca -0.06 0.53 0.06 0.00 0.00 0.00 0.00 47.33 47.86 1pw4 h GLY 369 CO -0.03 -0.17 0.50 1.41 0.00 0.00 0.00 176.54 178.25 1pw4 h LEU 370 N -0.11 0.79 -0.58 3.11 3.38 -0.83 -1.83 115.31 119.24 1pw4 h LEU 370 Ca 0.25 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.28 1pw4 h LEU 370 Cb 0.56 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1pw4 h LEU 370 CO -0.81 0.51 0.32 -0.74 0.09 0.00 0.00 178.44 177.81 1pw4 h HIS 371 N 0.93 0.59 -0.94 1.13 2.76 1.07 -2.75 115.15 117.94 1pw4 h HIS 371 Ca 0.35 0.02 0.17 0.00 -2.20 0.00 0.00 60.37 58.72 1pw4 h HIS 371 Cb 0.15 -0.18 -0.10 0.00 1.55 0.00 0.00 27.41 28.83 1pw4 h HIS 371 CO -0.04 0.29 0.53 0.00 -1.30 0.00 0.00 177.93 177.42 1pw4 h ALA 372 N 1.30 1.49 -0.84 5.26 0.00 0.10 -1.92 119.26 124.66 1pw4 h ALA 372 Ca 0.25 0.08 0.21 0.00 0.00 0.00 0.00 54.91 55.46 1pw4 h ALA 372 Cb 0.13 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 17.74 1pw4 h ALA 372 CO -0.16 -0.07 0.18 -0.07 0.00 0.00 0.00 179.25 179.13 1pw4 h LEU 373 N 0.70 -0.08 -0.60 0.00 3.38 -1.41 -0.68 115.31 116.62 1pw4 h LEU 373 Ca 0.53 0.19 -0.15 0.00 0.09 0.00 0.00 57.88 58.54 1pw4 h LEU 373 Cb 0.79 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1pw4 h LEU 373 CO -0.38 -0.15 -0.70 -0.33 0.09 0.00 0.00 178.44 176.97 1pw4 h GLU 374 N 0.19 0.01 -0.13 1.13 5.08 -1.48 -3.35 114.58 116.03 1pw4 h GLU 374 Ca 0.51 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 1pw4 h GLU 374 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1pw4 h GLU 374 CO -0.65 0.71 0.00 1.28 -1.00 0.00 0.00 179.01 179.35 1pw4 n LEU 375 N -3.71 0.13 -3.83 1.33 4.77 -0.26 -4.81 117.00 110.62 1pw4 n LEU 375 Ca -0.01 -0.06 -0.07 0.00 -0.03 0.00 0.00 56.01 55.84 1pw4 n LEU 375 Cb 0.69 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1pw4 n LEU 375 CO 0.43 0.03 0.56 0.00 -1.33 0.00 0.00 177.39 177.08 1pw4 s ALA 376 N -1.76 -1.15 1.01 -1.18 0.00 -1.25 -4.77 121.76 112.66 1pw4 s ALA 376 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 51.96 51.42 1pw4 s ALA 376 Cb 0.00 0.75 0.19 0.00 0.00 0.00 0.00 23.12 24.06 1pw4 s ALA 376 CO 0.00 -1.02 1.12 -2.14 0.00 0.00 0.00 175.76 173.71 1pw4 s PRO 377 N -3.10 0.33 0.01 0.00 0.02 -1.26 -4.70 135.00 126.30 1pw4 s PRO 377 Ca 0.14 0.30 -0.02 0.00 0.02 0.00 0.00 61.00 61.43 1pw4 s PRO 377 Cb -0.05 -1.74 -0.01 0.00 0.02 0.00 0.00 34.50 32.72 1pw4 s PRO 377 CO 0.08 -2.75 0.34 1.63 -0.33 0.00 0.00 177.00 175.97 1pw4 n LYS 378 N -4.15 -0.03 0.09 5.54 5.02 -1.26 -1.01 118.16 122.35 1pw4 n LYS 378 Ca 0.07 0.34 -0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1pw4 n LYS 378 Cb 0.58 -0.51 -0.04 0.00 -0.02 0.00 0.00 35.03 35.05 1pw4 n LYS 378 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1pw4 h LYS 379 N 0.00 0.00 -0.99 1.97 3.64 -1.99 -3.31 116.57 115.89 1pw4 h LYS 379 Ca 0.01 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.60 1pw4 h LYS 379 Cb 0.03 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 31.74 1pw4 h LYS 379 CO -0.07 0.54 0.59 0.00 -2.27 0.00 0.00 179.45 178.24 1pw4 h ALA 380 N 1.37 1.69 -0.87 5.00 0.00 -1.42 -2.45 119.26 122.58 1pw4 h ALA 380 Ca -0.06 0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1pw4 h ALA 380 Cb 1.53 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 19.17 1pw4 h ALA 380 CO 0.07 -0.15 -0.43 0.00 0.00 0.00 0.00 179.25 178.74 1pw4 n ALA 381 N -2.33 -0.35 0.01 0.00 0.00 -1.03 0.26 120.51 117.08 1pw4 n ALA 381 Ca 0.24 0.79 -0.06 0.00 0.00 0.00 0.00 53.44 54.42 1pw4 n ALA 381 Cb 0.64 -0.24 -0.04 0.00 0.00 0.00 0.00 19.45 19.81 1pw4 n ALA 381 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1pw4 h GLY 382 N 0.00 -1.32 2.00 0.00 0.00 -1.69 0.90 103.07 102.96 1pw4 h GLY 382 Ca 0.21 0.64 0.00 0.00 0.00 0.00 0.00 47.33 48.18 1pw4 h GLY 382 CO -0.83 -0.42 0.00 -1.30 0.00 0.00 0.00 176.54 173.98 1pw4 n THR 383 N -3.63 0.72 0.02 4.70 -2.24 -0.65 -1.76 114.28 111.44 1pw4 n THR 383 Ca -0.03 0.02 -0.18 0.00 -2.27 0.00 0.00 64.05 61.59 1pw4 n THR 383 Cb 0.15 -0.92 -0.12 0.00 -2.10 0.00 0.00 70.33 67.34 1pw4 n THR 383 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pw4 h ALA 384 N 2.38 0.01 0.00 6.98 0.00 0.44 -2.08 119.26 126.99 1pw4 h ALA 384 Ca 0.00 -0.60 -0.07 0.00 0.00 0.00 0.00 54.91 54.24 1pw4 h ALA 384 Cb 0.52 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1pw4 h ALA 384 CO 0.00 0.33 -0.32 0.00 0.00 0.00 0.00 179.25 179.27 1pw4 h ALA 385 N 0.23 0.88 0.20 0.00 0.00 0.96 -3.15 119.26 118.38 1pw4 h ALA 385 Ca -0.09 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 54.26 1pw4 h ALA 385 Cb 1.40 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 19.17 1pw4 h ALA 385 CO 0.12 0.40 -1.17 0.78 0.00 0.00 0.00 179.25 179.37 1pw4 h GLY 386 N 2.80 0.48 0.22 0.00 0.00 -1.40 -3.21 103.07 101.96 1pw4 h GLY 386 Ca -0.00 -1.23 0.14 0.00 0.00 0.00 0.00 47.33 46.24 1pw4 h GLY 386 CO 0.04 1.07 0.36 -2.75 0.00 0.00 0.00 176.54 175.26 1pw4 h PHE 387 N -0.11 0.62 0.23 5.60 3.57 -1.38 -1.57 116.94 123.90 1pw4 h PHE 387 Ca -0.21 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1pw4 h PHE 387 Cb 1.91 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 40.47 1pw4 h PHE 387 CO 0.16 0.13 -0.24 1.79 -2.23 0.00 0.00 178.31 177.92 1pw4 h THR 388 N 0.53 0.49 -0.73 4.41 1.35 -1.63 0.35 112.91 117.69 1pw4 h THR 388 Ca 0.42 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 66.43 1pw4 h THR 388 Cb 0.60 0.49 -0.10 0.00 -1.73 0.00 0.00 68.15 67.41 1pw4 h THR 388 CO -0.37 0.00 0.23 1.23 -0.25 0.00 0.00 175.52 176.36 1pw4 h GLY 389 N -0.50 1.06 0.95 5.82 0.00 -1.30 0.30 103.07 109.40 1pw4 h GLY 389 Ca -0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 47.33 47.02 1pw4 h GLY 389 CO -0.06 -0.15 -0.92 1.41 0.00 0.00 0.00 176.54 176.82 1pw4 h LEU 390 N 0.34 0.67 -0.89 3.11 3.38 -1.22 0.36 115.31 121.06 1pw4 h LEU 390 Ca 0.41 -0.83 0.03 0.00 0.09 0.00 0.00 57.88 57.58 1pw4 h LEU 390 Cb 0.66 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 1pw4 h LEU 390 CO -0.46 1.43 0.58 0.15 0.09 0.00 0.00 178.44 180.23 1pw4 h PHE 391 N -0.00 1.09 0.57 1.13 3.57 -0.65 0.50 116.94 123.15 1pw4 h PHE 391 Ca -0.14 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.36 1pw4 h PHE 391 Cb 1.64 -0.36 0.01 0.00 2.79 0.00 0.00 35.95 40.03 1pw4 h PHE 391 CO 0.15 0.64 -0.28 0.78 -2.23 0.00 0.00 178.31 177.37 1pw4 h GLY 392 N 1.14 -0.81 0.96 2.40 0.00 -0.35 -3.11 103.07 103.31 1pw4 h GLY 392 Ca 0.35 0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.98 1pw4 h GLY 392 CO -0.11 -0.29 0.08 -1.82 0.00 0.00 0.00 176.54 174.39 1pw4 h TYR 393 N -0.79 0.17 0.00 5.60 3.20 -0.16 -0.08 116.97 124.90 1pw4 h TYR 393 Ca -0.08 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1pw4 h TYR 393 Cb 0.59 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.81 1pw4 h TYR 393 CO 0.09 0.15 0.00 -0.11 -1.64 0.00 0.00 178.16 176.65 1pw4 n LEU 394 N -4.97 0.00 0.17 2.82 -0.00 0.16 -2.11 117.00 113.06 1pw4 n LEU 394 Ca -0.05 0.88 -0.14 0.00 -0.00 0.00 0.00 56.01 56.70 1pw4 n LEU 394 Cb 0.05 -0.38 -0.08 0.00 -0.00 0.00 0.00 43.42 43.01 1pw4 n LEU 394 CO 0.34 -0.38 0.70 1.23 -0.00 0.00 0.00 177.39 179.27 1pw4 h GLY 395 N 0.00 -0.40 -1.26 -3.96 0.00 -1.62 -2.88 103.07 92.94 1pw4 h GLY 395 Ca 0.00 0.15 0.41 0.00 0.00 0.00 0.00 47.33 47.89 1pw4 h GLY 395 CO 0.00 -0.15 0.84 0.61 0.00 0.00 0.00 176.54 177.85 1pw4 n GLY 396 N -0.90 -0.72 0.07 4.60 0.00 -0.04 -0.94 105.19 107.25 1pw4 n GLY 396 Ca -0.10 0.61 -0.10 0.00 0.00 0.00 0.00 46.02 46.44 1pw4 n GLY 396 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pw4 h SER 397 N 0.00 0.00 -0.93 1.61 0.02 -1.20 -0.92 113.55 112.12 1pw4 h SER 397 Ca 0.74 -0.49 0.28 0.00 -0.84 0.00 0.00 61.79 61.47 1pw4 h SER 397 Cb 2.54 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 64.92 1pw4 h SER 397 CO -0.29 0.88 0.25 0.58 -1.14 0.00 0.00 176.83 177.12 1pw4 h VAL 398 N -1.00 0.19 0.09 2.27 2.07 -0.97 1.11 116.25 120.00 1pw4 h VAL 398 Ca -0.05 -0.05 -0.18 0.00 0.82 0.00 0.00 66.70 67.24 1pw4 h VAL 398 Cb 0.67 0.04 0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1pw4 h VAL 398 CO -0.03 0.02 -0.76 0.00 0.02 0.00 0.00 177.57 176.82 1pw4 h ALA 399 N 1.87 -0.02 -0.95 1.67 0.00 -1.56 0.45 119.26 120.71 1pw4 h ALA 399 Ca 0.62 -0.65 0.16 0.00 0.00 0.00 0.00 54.91 55.04 1pw4 h ALA 399 Cb 1.35 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 19.13 1pw4 h ALA 399 CO -0.74 0.39 0.60 0.00 0.00 0.00 0.00 179.25 179.50 1pw4 h ALA 400 N 0.19 1.77 0.00 0.00 0.00 0.12 -2.68 119.26 118.66 1pw4 h ALA 400 Ca -0.12 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1pw4 h ALA 400 Cb 1.53 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1pw4 h ALA 400 CO 0.15 -0.06 -0.77 -1.13 0.00 0.00 0.00 179.25 177.44 1pw4 n SER 401 N -4.62 1.58 0.00 0.00 3.41 0.34 -3.66 113.62 110.67 1pw4 n SER 401 Ca 0.20 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1pw4 n SER 401 Cb 0.50 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1pw4 n SER 401 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pw4 n ALA 402 N -4.02 -0.33 -0.21 7.33 0.00 0.16 -3.16 120.51 120.27 1pw4 n ALA 402 Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.31 1pw4 n ALA 402 Cb 0.40 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.89 1pw4 n ALA 402 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1pw4 h ILE 403 N 0.00 0.27 -0.25 0.00 2.04 -1.54 0.28 117.51 118.31 1pw4 h ILE 403 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1pw4 h ILE 403 Cb 0.00 0.27 -0.07 0.00 -0.74 0.00 0.00 36.82 36.28 1pw4 h ILE 403 CO 0.00 0.00 -0.29 0.58 0.00 0.00 0.00 178.15 178.44 1pw4 h VAL 404 N -0.08 0.31 -0.69 1.67 2.07 -1.62 0.19 116.25 118.09 1pw4 h VAL 404 Ca 0.28 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.93 1pw4 h VAL 404 Cb 0.51 0.31 -0.13 0.00 -1.52 0.00 0.00 31.29 30.46 1pw4 h VAL 404 CO -0.67 0.00 -0.25 1.23 0.02 0.00 0.00 177.57 177.91 1pw4 h GLY 405 N -0.30 0.28 2.00 2.17 0.00 -0.91 0.20 103.07 106.52 1pw4 h GLY 405 Ca 0.13 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1pw4 h GLY 405 CO -0.42 -0.25 0.00 -0.97 0.00 0.00 0.00 176.54 174.90 1pw4 h TYR 406 N -0.06 0.00 -0.32 5.60 -1.99 -0.70 -2.03 116.97 117.46 1pw4 h TYR 406 Ca 0.31 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.04 1pw4 h TYR 406 Cb 0.54 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.27 1pw4 h TYR 406 CO -0.62 0.00 0.00 2.41 -0.00 0.00 0.00 178.16 179.95 1pw4 n THR 407 N -2.84 0.98 -0.00 -2.88 -1.04 0.67 -3.24 114.28 105.93 1pw4 n THR 407 Ca 0.01 -0.60 0.00 0.00 -2.04 0.00 0.00 64.05 61.42 1pw4 n THR 407 Cb 0.27 -0.10 -0.01 0.00 -1.82 0.00 0.00 70.33 68.67 1pw4 n THR 407 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1pw4 n VAL 408 N 0.43 0.02 0.09 12.58 0.31 -0.77 -4.28 118.33 126.71 1pw4 n VAL 408 Ca 0.13 -0.02 -0.11 0.00 -0.01 0.00 0.00 64.34 64.32 1pw4 n VAL 408 Cb 0.54 -0.06 -0.08 0.00 -0.91 0.00 0.00 33.84 33.34 1pw4 n VAL 408 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1pw4 h ASP 409 N 0.00 -0.25 1.06 4.52 3.32 -1.53 -3.33 116.42 120.22 1pw4 h ASP 409 Ca -0.01 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1pw4 h ASP 409 Cb 0.41 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1pw4 h ASP 409 CO 0.00 0.24 -0.48 -0.26 -1.72 0.00 0.00 179.24 177.02 1pw4 h PHE 410 N -0.84 0.00 -4.90 4.55 -1.00 -1.88 -3.45 116.94 109.42 1pw4 h PHE 410 Ca -0.03 0.00 -0.43 0.00 2.81 0.00 0.00 57.97 60.32 1pw4 h PHE 410 Cb 0.51 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.01 1pw4 h PHE 410 CO 0.06 0.00 -0.28 1.19 -1.61 0.00 0.00 178.31 177.68 1pw4 n PHE 411 N -2.22 0.21 -1.20 -0.55 3.01 -1.25 -5.15 117.46 110.31 1pw4 n PHE 411 Ca 0.04 -1.65 0.00 0.00 1.01 0.00 0.00 57.45 56.85 1pw4 n PHE 411 Cb 0.45 -0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 1pw4 n PHE 411 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pw4 n GLY 412 N 0.78 0.26 0.12 1.37 0.00 -1.26 -4.50 105.19 101.96 1pw4 n GLY 412 Ca -0.10 -1.82 0.03 0.00 0.00 0.00 0.00 46.02 44.13 1pw4 n GLY 412 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1pw4 h TRP 413 N -0.22 0.00 -0.57 1.61 2.91 -1.86 -3.32 115.95 114.49 1pw4 h TRP 413 Ca 0.00 0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.08 1pw4 h TRP 413 Cb 0.00 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 28.59 1pw4 h TRP 413 CO 0.00 0.42 0.27 -0.44 -1.03 0.00 0.00 178.44 177.67 1pw4 h ASP 414 N 0.00 0.36 0.00 2.65 3.45 -1.93 0.16 116.42 121.11 1pw4 h ASP 414 Ca -0.08 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.42 1pw4 h ASP 414 Cb 1.40 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 40.15 1pw4 h ASP 414 CO 0.04 0.24 0.02 0.61 -1.57 0.00 0.00 179.24 178.58 1pw4 n GLY 415 N -1.27 -0.32 0.21 2.75 0.00 -1.25 -1.29 105.19 104.02 1pw4 n GLY 415 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1pw4 n GLY 415 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pw4 h GLY 416 N 0.00 -0.46 2.00 -0.02 0.00 -0.86 -3.12 103.07 100.61 1pw4 h GLY 416 Ca 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 1pw4 h GLY 416 CO 0.00 -0.17 -0.17 0.74 0.00 0.00 0.00 176.54 176.95 1pw4 h PHE 417 N -0.99 0.00 -0.74 5.60 -1.00 -1.30 -2.20 116.94 116.31 1pw4 h PHE 417 Ca -0.05 0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.81 1pw4 h PHE 417 Cb 0.49 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.99 1pw4 h PHE 417 CO 0.03 0.17 0.41 0.52 -1.61 0.00 0.00 178.31 177.83 1pw4 h MET 418 N 0.00 0.70 -0.07 1.51 2.86 -1.48 1.70 114.93 120.15 1pw4 h MET 418 Ca -0.00 -0.04 -0.22 0.00 -2.06 0.00 0.00 59.70 57.38 1pw4 h MET 418 Cb 0.33 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1pw4 h MET 418 CO 0.02 0.46 -0.83 0.28 1.06 0.00 0.00 176.91 177.90 1pw4 h VAL 419 N 0.72 1.34 0.43 -2.22 2.07 -1.35 -0.01 116.25 117.23 1pw4 h VAL 419 Ca 0.35 -2.18 -0.02 0.00 0.82 0.00 0.00 66.70 65.67 1pw4 h VAL 419 Cb 0.29 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1pw4 h VAL 419 CO -0.23 0.67 -0.21 0.24 0.02 0.00 0.00 177.57 178.06 1pw4 h MET 420 N 0.36 -0.56 -0.74 1.57 2.07 -0.88 1.04 114.93 117.79 1pw4 h MET 420 Ca -0.06 0.04 0.08 0.00 -2.07 0.00 0.00 59.70 57.69 1pw4 h MET 420 Cb 1.45 0.13 -0.07 0.00 -1.87 0.00 0.00 31.60 31.24 1pw4 h MET 420 CO 0.15 -0.37 0.40 0.82 1.07 0.00 0.00 176.91 178.98 1pw4 h ILE 421 N -0.95 0.91 -0.10 -1.22 2.04 0.24 -1.06 117.51 117.36 1pw4 h ILE 421 Ca -0.06 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1pw4 h ILE 421 Cb 0.45 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1pw4 h ILE 421 CO 0.10 0.13 0.06 1.23 0.00 0.00 0.00 178.15 179.66 1pw4 h GLY 422 N 0.69 0.15 -0.11 5.37 0.00 -1.03 -2.21 103.07 105.92 1pw4 h GLY 422 Ca 0.35 -0.07 0.18 0.00 0.00 0.00 0.00 47.33 47.79 1pw4 h GLY 422 CO -0.23 0.06 0.26 -1.33 0.00 0.00 0.00 176.54 175.30 1pw4 h GLY 423 N 0.08 1.21 0.87 4.60 0.00 0.23 -0.95 103.07 109.11 1pw4 h GLY 423 Ca 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1pw4 h GLY 423 CO -0.01 -0.22 0.06 1.76 0.00 0.00 0.00 176.54 178.14 1pw4 h SER 424 N 0.33 0.28 -0.82 0.19 0.02 -0.98 -2.77 113.55 109.80 1pw4 h SER 424 Ca 0.47 -0.20 0.19 0.00 -0.84 0.00 0.00 61.79 61.41 1pw4 h SER 424 Cb 0.83 -0.07 -0.15 0.00 0.14 0.00 0.00 62.40 63.14 1pw4 h SER 424 CO -0.51 0.41 -0.06 0.40 -1.14 0.00 0.00 176.83 175.92 1pw4 h ILE 425 N 0.14 0.22 -0.45 3.27 2.04 -0.56 0.23 117.51 122.40 1pw4 h ILE 425 Ca 0.06 -0.02 -0.13 0.00 1.00 0.00 0.00 64.86 65.77 1pw4 h ILE 425 Cb 0.22 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1pw4 h ILE 425 CO -0.00 0.01 -0.23 -0.07 0.00 0.00 0.00 178.15 177.85 1pw4 h LEU 426 N 0.05 0.98 -1.12 1.44 4.07 -1.22 -2.47 115.31 117.05 1pw4 h LEU 426 Ca 0.44 -0.41 0.28 0.00 0.08 0.00 0.00 57.88 58.28 1pw4 h LEU 426 Cb 0.78 -0.27 -0.12 0.00 1.08 0.00 0.00 40.66 42.12 1pw4 h LEU 426 CO -0.78 1.17 0.63 0.00 -1.08 0.00 0.00 178.44 178.38 1pw4 h ALA 427 N 0.84 2.01 0.06 1.53 0.00 -0.30 0.78 119.26 124.18 1pw4 h ALA 427 Ca 0.10 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1pw4 h ALA 427 Cb 0.81 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1pw4 h ALA 427 CO 0.07 -0.51 -0.03 0.28 0.00 0.00 0.00 179.25 179.05 1pw4 h VAL 428 N 0.44 1.18 -0.74 0.00 2.07 -1.15 0.31 116.25 118.36 1pw4 h VAL 428 Ca 0.67 -1.53 0.13 0.00 0.82 0.00 0.00 66.70 66.79 1pw4 h VAL 428 Cb 1.51 2.08 -0.09 0.00 -1.52 0.00 0.00 31.29 33.27 1pw4 h VAL 428 CO -0.46 0.34 0.33 0.40 0.02 0.00 0.00 177.57 178.20 1pw4 h ILE 429 N -0.85 0.73 -0.46 4.57 2.04 -0.70 0.30 117.51 123.14 1pw4 h ILE 429 Ca -0.01 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.60 1pw4 h ILE 429 Cb 0.63 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1pw4 h ILE 429 CO 0.01 0.09 -0.02 -0.07 0.00 0.00 0.00 178.15 178.17 1pw4 h LEU 430 N 0.50 0.81 -2.36 1.44 3.38 0.48 -1.47 115.31 118.09 1pw4 h LEU 430 Ca 0.39 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1pw4 h LEU 430 Cb 0.54 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1pw4 h LEU 430 CO -0.35 0.93 -0.04 0.25 0.09 0.00 0.00 178.44 179.32 1pw4 h LEU 431 N 0.66 0.00 0.15 1.67 5.85 0.27 -1.80 115.31 122.12 1pw4 h LEU 431 Ca 0.13 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1pw4 h LEU 431 Cb 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1pw4 h LEU 431 CO 0.03 0.04 -0.07 0.40 -0.34 0.00 0.00 178.44 178.49 1pw4 h ILE 432 N 0.00 0.84 -0.59 4.05 1.08 0.39 -3.02 117.51 120.26 1pw4 h ILE 432 Ca -0.00 -1.16 0.12 0.00 -0.39 0.00 0.00 64.86 63.43 1pw4 h ILE 432 Cb 0.16 1.43 -0.10 0.00 -3.07 0.00 0.00 36.82 35.24 1pw4 h ILE 432 CO 0.00 0.22 -0.05 0.58 -0.69 0.00 0.00 178.15 178.22 1pw4 h VAL 433 N -0.87 0.47 -0.04 1.67 2.07 -0.50 1.04 116.25 120.09 1pw4 h VAL 433 Ca -0.02 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1pw4 h VAL 433 Cb 0.52 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1pw4 h VAL 433 CO 0.03 0.01 0.05 -0.37 0.02 0.00 0.00 177.57 177.32 1pw4 h VAL 434 N 0.07 0.46 0.02 2.57 -1.51 -1.45 0.40 116.25 116.81 1pw4 h VAL 434 Ca 0.30 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.69 1pw4 h VAL 434 Cb 0.48 0.96 0.01 0.00 -2.13 0.00 0.00 31.29 30.60 1pw4 h VAL 434 CO -0.55 0.00 -0.31 0.24 -1.23 0.00 0.00 177.57 175.72 1pw4 h MET 435 N 0.00 0.18 0.22 5.19 2.07 0.12 -2.28 114.93 120.43 1pw4 h MET 435 Ca 0.02 -0.22 -0.01 0.00 -2.07 0.00 0.00 59.70 57.42 1pw4 h MET 435 Cb 0.13 0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.93 1pw4 h MET 435 CO -0.00 0.99 -0.11 0.97 1.07 0.00 0.00 176.91 179.84 1pw4 h ILE 436 N -0.55 0.82 -0.47 -1.22 2.10 0.37 -2.90 117.51 115.67 1pw4 h ILE 436 Ca -0.05 -0.24 0.09 0.00 1.08 0.00 0.00 64.86 65.74 1pw4 h ILE 436 Cb 1.12 0.97 -0.08 0.00 -1.09 0.00 0.00 36.82 37.74 1pw4 h ILE 436 CO 0.06 0.05 0.01 1.23 -1.08 0.00 0.00 178.15 178.42 1pw4 h GLY 437 N -0.42 0.48 1.05 8.18 0.00 -0.37 0.15 103.07 112.14 1pw4 h GLY 437 Ca -0.03 0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.41 1pw4 h GLY 437 CO 0.05 -0.12 0.50 1.05 0.00 0.00 0.00 176.54 178.02 1pw4 h GLU 438 N 0.12 0.83 0.06 4.80 4.11 -1.41 -1.69 114.58 121.40 1pw4 h GLU 438 Ca 0.24 -0.05 -0.25 0.00 0.07 0.00 0.00 59.36 59.37 1pw4 h GLU 438 Cb 0.35 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1pw4 h GLU 438 CO -0.39 0.55 -1.07 0.87 0.07 0.00 0.00 179.01 179.04 1pw4 h LYS 439 N 0.86 0.35 -0.83 1.06 1.57 -0.84 -2.98 116.57 115.75 1pw4 h LYS 439 Ca 0.32 -0.46 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1pw4 h LYS 439 Cb 0.18 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 1pw4 h LYS 439 CO -0.10 1.16 0.46 0.00 -0.57 0.00 0.00 179.45 180.39 1pw4 h ARG 440 N 0.16 1.15 -0.81 3.15 3.08 -0.45 -2.28 114.38 118.39 1pw4 h ARG 440 Ca -0.11 -0.13 0.09 0.00 0.07 0.00 0.00 59.98 59.90 1pw4 h ARG 440 Cb 1.75 -0.23 -0.07 0.00 0.08 0.00 0.00 29.97 31.50 1pw4 h ARG 440 CO 0.18 0.84 0.46 -0.09 -1.07 0.00 0.00 179.97 180.30 1pw4 h ARG 441 N 1.15 0.76 -0.71 0.04 2.43 -1.33 -2.10 114.38 114.62 1pw4 h ARG 441 Ca 0.29 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1pw4 h ARG 441 Cb 0.03 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 1pw4 h ARG 441 CO -0.05 0.50 0.46 1.25 -1.51 0.00 0.00 179.97 180.62 1pw4 h HIS 442 N 0.78 0.90 -0.14 2.20 2.76 -1.25 -2.74 115.15 117.67 1pw4 h HIS 442 Ca 0.39 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.59 1pw4 h HIS 442 Cb 0.34 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 1pw4 h HIS 442 CO -0.06 0.58 0.10 0.93 -1.30 0.00 0.00 177.93 178.17 1pw4 h GLU 443 N 0.96 0.10 0.00 5.26 5.08 -1.19 -2.89 114.58 121.90 1pw4 h GLU 443 Ca 0.26 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 1pw4 h GLU 443 Cb -0.09 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1pw4 h GLU 443 CO -0.05 0.06 -0.08 1.96 -1.00 0.00 0.00 179.01 179.90 1pw4 h GLN 444 N 0.10 0.00 0.00 2.33 4.20 -1.39 -2.89 115.11 117.45 1pw4 h GLN 444 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1pw4 h GLN 444 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1pw4 h GLN 444 CO -0.01 0.08 0.14 -0.07 -0.67 0.00 0.00 178.83 178.30 1pw4 h LEU 445 N 0.00 0.00 -1.32 1.46 3.38 -1.63 0.38 115.31 117.58 1pw4 h LEU 445 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pw4 h LEU 445 Cb 0.51 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1pw4 h LEU 445 CO 0.01 0.00 0.40 -0.07 0.09 0.00 0.00 178.44 178.87 1pw4 h LEU 446 N 0.00 0.75 -0.03 1.67 3.38 -1.74 -1.75 115.31 117.60 1pw4 h LEU 446 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1pw4 h LEU 446 Cb 0.28 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1pw4 h LEU 446 CO 0.00 0.57 0.00 0.00 0.09 0.00 0.00 178.44 179.10 1pw4 n GLN 447 N -4.42 0.02 0.07 1.13 6.02 0.14 -3.04 117.38 117.30 1pw4 n GLN 447 Ca 0.06 0.15 0.03 0.00 -0.01 0.00 0.00 57.00 57.24 1pw4 n GLN 447 Cb 0.06 -1.52 0.42 0.00 1.02 0.00 0.00 30.24 30.22 1pw4 n GLN 447 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1pw4 h GLU 448 N 0.00 0.37 0.00 -1.09 4.39 -1.40 -2.48 114.58 114.37 1pw4 h GLU 448 Ca 0.00 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.47 1pw4 h GLU 448 Cb 0.37 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1pw4 h GLU 448 CO 0.00 0.35 -0.84 -0.07 -1.16 0.00 0.00 179.01 177.29 1pw4 h LEU 449 N 0.37 0.11 -0.02 1.33 3.38 -1.71 -3.43 115.31 115.34 1pw4 h LEU 449 Ca 0.09 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pw4 h LEU 449 Cb 0.14 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1pw4 h LEU 449 CO -0.00 0.89 -0.01 0.52 0.09 0.00 0.00 178.44 179.93 1pw4 n VAL 450 N -3.61 -0.01 0.00 1.22 0.31 -0.94 -5.21 118.33 110.08 1pw4 n VAL 450 Ca -0.02 0.97 0.00 0.00 -0.01 0.00 0.00 64.34 65.28 1pw4 n VAL 450 Cb 0.79 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 1pw4 n VAL 450 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86