#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pj4 s GLU 23 N 0.00 1.04 0.43 1.64 2.56 -1.26 -5.16 118.70 117.96 1pj4 s GLU 23 Ca 0.00 -1.28 0.03 0.00 0.00 0.00 0.00 54.97 53.73 1pj4 s GLU 23 Cb 0.00 -0.88 -0.02 0.00 2.00 0.00 0.00 34.13 35.23 1pj4 s GLU 23 CO 0.00 0.16 0.11 -1.59 -0.56 0.00 0.00 175.26 173.38 1pj4 s LYS 24 N -2.83 1.99 1.65 4.30 -2.85 -1.26 -4.80 119.74 115.94 1pj4 s LYS 24 Ca 0.10 -2.23 0.00 0.00 -1.00 0.00 0.00 55.97 52.84 1pj4 s LYS 24 Cb -0.04 -0.77 0.00 0.00 -2.06 0.00 0.00 37.83 34.96 1pj4 s LYS 24 CO 0.03 -0.47 0.00 0.41 0.10 0.00 0.00 175.35 175.42 1pj4 n GLY 25 N -0.98 -1.47 0.33 0.59 0.00 0.25 -4.16 105.19 99.74 1pj4 n GLY 25 Ca -0.08 -1.28 0.20 0.00 0.00 0.00 0.00 46.02 44.86 1pj4 n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pj4 n LYS 26 N -0.23 -0.07 -0.23 1.61 3.00 -1.26 -0.67 118.16 120.31 1pj4 n LYS 26 Ca 0.00 1.41 0.30 0.00 -0.00 0.00 0.00 58.31 60.02 1pj4 n LYS 26 Cb 0.00 -2.34 0.72 0.00 0.00 0.00 0.00 35.03 33.41 1pj4 n LYS 26 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1pj4 h PRO 27 N 0.00 0.03 -1.07 1.64 0.11 -1.97 -2.42 132.00 128.32 1pj4 h PRO 27 Ca 0.67 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.78 1pj4 h PRO 27 Cb 1.56 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.66 1pj4 h PRO 27 CO -0.85 0.02 0.00 1.28 -0.21 0.00 0.00 178.00 178.24 1pj4 n LEU 28 N -4.26 0.58 0.00 2.35 4.77 0.16 -2.27 117.00 118.33 1pj4 n LEU 28 Ca 0.21 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1pj4 n LEU 28 Cb 1.03 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 1pj4 n LEU 28 CO 0.39 0.11 0.00 0.18 -1.33 0.00 0.00 177.39 176.73 1pj4 n LEU 30 N 0.63 0.00 -4.54 2.23 4.77 -0.91 -2.15 117.00 117.03 1pj4 n LEU 30 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1pj4 n LEU 30 Cb 0.11 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 1pj4 n LEU 30 CO 0.00 0.00 0.16 0.21 -1.33 0.00 0.00 177.39 176.43 1pj4 s ASN 31 N 0.00 6.26 0.62 -1.43 3.84 -0.96 -4.94 114.94 118.32 1pj4 s ASN 31 Ca 0.00 -0.21 0.32 0.00 0.21 0.00 0.00 52.86 53.19 1pj4 s ASN 31 Cb 0.00 -2.24 1.84 0.00 -0.55 0.00 0.00 41.25 40.29 1pj4 s ASN 31 CO 0.00 -0.47 2.15 1.55 -2.79 0.00 0.00 177.10 177.53 1pj4 h PRO 32 N 8.53 0.00 -0.55 0.43 0.13 -1.77 -0.35 132.00 138.42 1pj4 h PRO 32 Ca -0.28 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.75 1pj4 h PRO 32 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1pj4 h PRO 32 CO 0.76 0.00 -0.03 -0.09 -0.23 0.00 0.00 178.00 178.41 1pj4 h ARG 33 N 0.00 0.99 0.00 0.86 9.65 -1.90 -0.30 114.38 123.69 1pj4 h ARG 33 Ca 0.05 -0.33 -0.10 0.00 -1.10 0.00 0.00 59.98 58.50 1pj4 h ARG 33 Cb 0.37 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.85 1pj4 h ARG 33 CO -0.00 1.01 -2.03 0.25 2.80 0.00 0.00 179.97 182.00 1pj4 n THR 34 N -4.22 0.36 -1.66 0.20 -2.24 -0.75 -4.75 114.28 101.22 1pj4 n THR 34 Ca 0.02 -0.56 -0.43 0.00 -2.27 0.00 0.00 64.05 60.81 1pj4 n THR 34 Cb 0.36 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 1pj4 n THR 34 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pj4 n ASN 35 N -2.34 4.02 -0.31 3.42 5.15 -0.21 -4.87 115.26 120.12 1pj4 n ASN 35 Ca -0.11 0.89 0.07 0.00 -0.60 0.00 0.00 54.58 54.83 1pj4 n ASN 35 Cb 0.69 -1.50 -0.01 0.00 -0.53 0.00 0.00 39.78 38.44 1pj4 n ASN 35 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1pj4 n LYS 36 N 7.44 1.83 0.00 1.20 5.02 -1.26 -4.64 118.16 127.75 1pj4 n LYS 36 Ca 0.21 -0.71 0.00 0.00 -2.02 0.00 0.00 58.31 55.78 1pj4 n LYS 36 Cb 0.39 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 1pj4 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pj4 n GLY 37 N 1.08 0.75 4.00 0.72 0.00 -1.26 -4.31 105.19 106.18 1pj4 n GLY 37 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1pj4 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj4 n ALA 39 N 0.00 0.00 -1.94 4.61 0.00 -1.26 -4.97 120.51 116.96 1pj4 n ALA 39 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1pj4 n ALA 39 Cb 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 1pj4 n ALA 39 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1pj4 s PHE 40 N -0.68 2.32 0.94 0.00 0.40 -1.26 -4.82 117.98 114.88 1pj4 s PHE 40 Ca 0.00 0.29 -0.12 0.00 -0.60 0.00 0.00 56.93 56.50 1pj4 s PHE 40 Cb 0.00 -3.95 0.16 0.00 0.51 0.00 0.00 43.02 39.73 1pj4 s PHE 40 CO 0.00 -3.88 1.09 0.95 0.70 0.00 0.00 175.22 174.08 1pj4 s THR 41 N 2.94 2.47 0.17 0.64 -4.23 -1.26 -4.77 115.64 111.60 1pj4 s THR 41 Ca 0.74 0.15 -0.14 0.00 -1.18 0.00 0.00 61.69 61.26 1pj4 s THR 41 Cb -0.38 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.01 1pj4 s THR 41 CO 0.32 -0.20 1.80 0.25 -0.54 0.00 0.00 174.62 176.25 1pj4 h LEU 42 N -1.77 0.42 -0.73 4.79 5.85 -1.98 -1.11 115.31 120.78 1pj4 h LEU 42 Ca -0.51 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 1pj4 h LEU 42 Cb 1.29 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 1pj4 h LEU 42 CO 0.52 0.30 0.33 -0.61 -0.34 0.00 0.00 178.44 178.63 1pj4 h GLN 43 N 0.53 1.07 -0.42 1.25 4.15 -1.99 -1.15 115.11 118.56 1pj4 h GLN 43 Ca 0.19 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 1pj4 h GLN 43 Cb 0.04 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 1pj4 h GLN 43 CO -0.10 0.86 0.20 0.93 -1.93 0.00 0.00 178.83 178.79 1pj4 h GLU 44 N 1.04 0.60 -0.42 1.69 5.08 -1.81 -3.05 114.58 117.70 1pj4 h GLU 44 Ca 0.25 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1pj4 h GLU 44 Cb 0.16 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1pj4 h GLU 44 CO -0.03 0.52 0.25 0.00 -1.00 0.00 0.00 179.01 178.75 1pj4 h ARG 45 N 0.53 0.58 -0.54 2.33 3.08 -0.81 0.21 114.38 119.76 1pj4 h ARG 45 Ca 0.14 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1pj4 h ARG 45 Cb 0.12 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1pj4 h ARG 45 CO -0.02 0.44 0.00 1.04 -1.07 0.00 0.00 179.97 180.36 1pj4 n GLN 46 N -4.74 0.34 0.00 0.04 6.02 -0.47 0.18 117.38 118.75 1pj4 n GLN 46 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1pj4 n GLN 46 Cb 0.06 -1.19 0.00 0.00 1.02 0.00 0.00 30.24 30.13 1pj4 n GLN 46 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1pj4 n LEU 48 N 0.40 0.00 -1.46 1.08 4.77 0.75 -4.71 117.00 117.83 1pj4 n LEU 48 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1pj4 n LEU 48 Cb 0.10 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1pj4 n LEU 48 CO 0.00 0.00 0.01 0.61 -1.33 0.00 0.00 177.39 176.68 1pj4 n GLY 49 N 0.00 0.19 0.20 -0.72 0.00 -0.92 -0.58 105.19 103.35 1pj4 n GLY 49 Ca 0.00 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 45.68 1pj4 n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj4 n LEU 50 N -1.91 1.11 -4.69 0.99 4.77 0.13 -4.36 117.00 113.03 1pj4 n LEU 50 Ca -0.04 -0.73 -0.43 0.00 -0.03 0.00 0.00 56.01 54.78 1pj4 n LEU 50 Cb 0.55 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.61 1pj4 n LEU 50 CO 0.21 0.23 1.47 0.00 -1.33 0.00 0.00 177.39 177.96 1pj4 n GLN 51 N -0.39 2.75 0.00 3.23 1.13 -1.08 -1.42 117.38 121.59 1pj4 n GLN 51 Ca 0.04 1.00 0.00 0.00 -1.94 0.00 0.00 57.00 56.10 1pj4 n GLN 51 Cb 0.20 -2.89 0.00 0.00 0.11 0.00 0.00 30.24 27.67 1pj4 n GLN 51 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1pj4 n GLY 52 N 4.21 3.18 0.13 1.08 0.00 -1.26 -4.84 105.19 107.69 1pj4 n GLY 52 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1pj4 n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj4 n LEU 53 N 0.00 0.77 -4.30 0.99 4.77 -0.51 -4.86 117.00 113.86 1pj4 n LEU 53 Ca 0.00 -0.13 -0.19 0.00 -0.03 0.00 0.00 56.01 55.66 1pj4 n LEU 53 Cb 0.00 -0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 40.80 1pj4 n LEU 53 CO 0.00 0.16 -0.46 -0.76 -1.33 0.00 0.00 177.39 175.00 1pj4 s LEU 54 N -2.72 2.45 0.72 2.23 1.43 -1.24 -5.13 118.68 116.42 1pj4 s LEU 54 Ca 0.19 -0.88 -0.15 0.00 -1.03 0.00 0.00 54.13 52.26 1pj4 s LEU 54 Cb 0.19 -0.67 0.03 0.00 0.03 0.00 0.00 46.19 45.77 1pj4 s LEU 54 CO 0.59 -0.12 1.17 -2.84 0.23 0.00 0.00 176.35 175.39 1pj4 s PRO 55 N -2.97 2.30 0.53 1.29 0.02 -1.26 -4.88 135.00 130.03 1pj4 s PRO 55 Ca 0.15 1.61 0.25 0.00 0.02 0.00 0.00 61.00 63.03 1pj4 s PRO 55 Cb -0.04 -1.87 1.40 0.00 0.02 0.00 0.00 34.50 34.01 1pj4 s PRO 55 CO 0.05 -1.68 2.01 -1.35 -0.33 0.00 0.00 177.00 175.70 1pj4 h PRO 56 N -0.29 0.00 -6.56 5.54 0.11 -2.00 -3.44 132.00 125.37 1pj4 h PRO 56 Ca -0.47 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.08 1pj4 h PRO 56 Cb 1.28 0.00 0.06 0.00 0.11 0.00 0.00 31.00 32.44 1pj4 h PRO 56 CO 0.51 0.00 0.90 1.17 -0.21 0.00 0.00 178.00 180.37 1pj4 n LYS 57 N -4.36 2.41 -3.60 1.05 3.00 -1.26 -4.99 118.16 110.41 1pj4 n LYS 57 Ca 0.08 0.87 -0.40 0.00 -0.00 0.00 0.00 58.31 58.87 1pj4 n LYS 57 Cb 0.55 -2.68 -0.11 0.00 0.00 0.00 0.00 35.03 32.79 1pj4 n LYS 57 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1pj4 s ILE 58 N 1.17 4.81 0.36 3.15 -1.09 -1.26 -4.83 121.20 123.51 1pj4 s ILE 58 Ca 0.78 -0.45 0.07 0.00 -2.23 0.00 0.00 60.65 58.82 1pj4 s ILE 58 Cb -0.61 -3.51 -0.02 0.00 -1.58 0.00 0.00 42.46 36.75 1pj4 s ILE 58 CO 0.36 -0.02 0.37 -1.61 -1.23 0.00 0.00 174.94 172.80 1pj4 s GLU 59 N 1.64 2.76 0.33 2.79 2.02 -1.26 -4.99 118.70 121.99 1pj4 s GLU 59 Ca 0.05 -1.30 0.08 0.00 0.02 0.00 0.00 54.97 53.82 1pj4 s GLU 59 Cb -0.18 -2.54 -0.03 0.00 0.10 0.00 0.00 34.13 31.48 1pj4 s GLU 59 CO 0.08 -0.01 0.24 0.95 0.02 0.00 0.00 175.26 176.54 1pj4 s THR 60 N -2.32 3.46 0.33 3.63 -4.23 -1.26 -3.99 115.64 111.25 1pj4 s THR 60 Ca 0.44 -1.47 0.05 0.00 -1.18 0.00 0.00 61.69 59.53 1pj4 s THR 60 Cb -0.06 -3.14 0.13 0.00 1.34 0.00 0.00 72.50 70.77 1pj4 s THR 60 CO 0.28 -0.19 1.83 -0.61 -0.54 0.00 0.00 174.62 175.39 1pj4 h GLN 61 N 1.36 0.47 -0.85 3.99 4.15 -1.97 -2.45 115.11 119.81 1pj4 h GLN 61 Ca -0.45 -0.12 0.07 0.00 0.77 0.00 0.00 58.65 58.92 1pj4 h GLN 61 Cb 1.25 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 28.82 1pj4 h GLN 61 CO 0.60 0.57 0.51 -0.44 -1.93 0.00 0.00 178.83 178.15 1pj4 h ASP 62 N 0.44 0.79 -0.38 -0.69 3.45 -1.99 0.20 116.42 118.24 1pj4 h ASP 62 Ca 0.09 0.03 -0.14 0.00 0.43 0.00 0.00 57.03 57.43 1pj4 h ASP 62 Cb 0.45 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.07 1pj4 h ASP 62 CO 0.02 0.49 -0.30 0.40 -1.57 0.00 0.00 179.24 178.28 1pj4 h ILE 63 N 0.92 1.27 -0.44 0.35 1.08 -1.85 -1.83 117.51 117.01 1pj4 h ILE 63 Ca 0.38 -1.46 -0.08 0.00 -0.39 0.00 0.00 64.86 63.31 1pj4 h ILE 63 Cb 0.23 1.27 -0.02 0.00 -3.07 0.00 0.00 36.82 35.23 1pj4 h ILE 63 CO -0.20 0.49 -0.04 1.56 -0.69 0.00 0.00 178.15 179.27 1pj4 h GLN 64 N 0.76 0.74 -0.45 2.37 4.20 -0.89 -1.91 115.11 119.94 1pj4 h GLN 64 Ca 0.08 -0.21 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 1pj4 h GLN 64 Cb 0.87 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 1pj4 h GLN 64 CO 0.08 0.79 0.04 0.00 -0.67 0.00 0.00 178.83 179.07 1pj4 h ALA 65 N 1.26 0.60 -0.89 3.87 0.00 -0.44 -2.68 119.26 120.98 1pj4 h ALA 65 Ca 0.13 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1pj4 h ALA 65 Cb 0.49 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1pj4 h ALA 65 CO 0.03 0.35 0.58 -0.07 0.00 0.00 0.00 179.25 180.13 1pj4 h LEU 66 N 0.61 0.97 -0.72 0.00 3.38 -1.04 -1.31 115.31 117.21 1pj4 h LEU 66 Ca 0.13 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1pj4 h LEU 66 Cb 0.43 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1pj4 h LEU 66 CO 0.01 0.68 0.47 -0.09 0.09 0.00 0.00 178.44 179.60 1pj4 h ARG 67 N 1.14 0.92 0.31 1.13 2.43 -1.16 -1.50 114.38 117.64 1pj4 h ARG 67 Ca 0.34 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.44 1pj4 h ARG 67 Cb -0.04 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.31 1pj4 h ARG 67 CO -0.10 0.61 -0.15 0.35 -1.51 0.00 0.00 179.97 179.16 1pj4 h PHE 68 N 0.94 -0.39 -0.18 2.20 3.57 -0.98 -1.99 116.94 120.11 1pj4 h PHE 68 Ca 0.27 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 1pj4 h PHE 68 Cb -0.06 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1pj4 h PHE 68 CO -0.03 -0.16 -0.01 0.45 -2.23 0.00 0.00 178.31 176.33 1pj4 h HIS 69 N -0.54 0.26 0.11 0.41 3.86 -1.17 0.13 115.15 118.20 1pj4 h HIS 69 Ca -0.04 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1pj4 h HIS 69 Cb 0.40 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1pj4 h HIS 69 CO -0.02 0.28 -0.05 -0.09 0.86 0.00 0.00 177.93 178.91 1pj4 h ARG 70 N 0.26 -0.14 -0.36 2.45 9.65 -1.15 -1.43 114.38 123.66 1pj4 h ARG 70 Ca 0.06 0.01 -0.11 0.00 -1.10 0.00 0.00 59.98 58.84 1pj4 h ARG 70 Cb 0.19 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 1pj4 h ARG 70 CO 0.00 -0.01 -0.23 -0.91 2.80 0.00 0.00 179.97 181.62 1pj4 h ASN 71 N -0.24 0.71 -0.66 -3.80 2.35 -0.71 -3.04 115.58 110.19 1pj4 h ASN 71 Ca -0.01 -0.25 -0.05 0.00 -0.55 0.00 0.00 56.30 55.43 1pj4 h ASN 71 Cb 0.19 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 1pj4 h ASN 71 CO 0.02 0.93 0.23 0.25 -1.65 0.00 0.00 177.43 177.21 1pj4 h LEU 72 N 0.61 0.96 -0.82 1.61 5.85 -0.62 -2.84 115.31 120.07 1pj4 h LEU 72 Ca 0.09 -0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.75 1pj4 h LEU 72 Cb 0.72 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.43 1pj4 h LEU 72 CO 0.06 0.88 0.45 0.50 -0.34 0.00 0.00 178.44 179.99 1pj4 h LYS 73 N 1.01 0.72 -3.41 1.25 1.63 -1.14 -3.44 116.57 113.18 1pj4 h LYS 73 Ca 0.23 -0.04 -0.54 0.00 -0.85 0.00 0.00 60.65 59.44 1pj4 h LYS 73 Cb 0.25 -0.16 0.02 0.00 -0.60 0.00 0.00 32.23 31.74 1pj4 h LYS 73 CO -0.01 0.48 3.11 1.63 -3.45 0.00 0.00 179.45 181.20 1pj4 n LYS 74 N -4.78 2.72 0.06 1.90 5.02 -1.08 -5.13 118.16 116.87 1pj4 n LYS 74 Ca 0.14 -1.87 0.00 0.00 -2.02 0.00 0.00 58.31 54.56 1pj4 n LYS 74 Cb 0.30 -2.70 0.00 0.00 -0.02 0.00 0.00 35.03 32.62 1pj4 n LYS 74 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1pj4 n THR 76 N 4.21 0.00 -2.67 -0.18 -2.24 -1.26 -5.14 114.28 106.99 1pj4 n THR 76 Ca 0.59 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 62.01 1pj4 n THR 76 Cb 0.21 -0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.26 1pj4 n THR 76 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1pj4 s SER 77 N -3.67 6.90 0.23 3.42 1.04 -1.26 -4.97 113.70 115.39 1pj4 s SER 77 Ca 0.00 1.89 -0.08 0.00 0.48 0.00 0.00 55.95 58.24 1pj4 s SER 77 Cb 0.00 -2.57 0.21 0.00 0.10 0.00 0.00 66.02 63.76 1pj4 s SER 77 CO 0.00 -0.38 1.90 -0.65 0.98 0.00 0.00 173.24 175.09 1pj4 h PRO 78 N 2.43 1.15 -0.58 4.02 0.11 -2.00 -2.32 132.00 134.82 1pj4 h PRO 78 Ca -0.48 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 1pj4 h PRO 78 Cb 1.20 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 32.02 1pj4 h PRO 78 CO 0.62 0.76 0.32 1.25 -0.21 0.00 0.00 178.00 180.74 1pj4 h LEU 79 N 1.18 0.71 -0.64 2.35 5.85 -1.94 0.19 115.31 123.02 1pj4 h LEU 79 Ca 0.32 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.92 1pj4 h LEU 79 Cb -0.13 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 1pj4 h LEU 79 CO -0.07 0.57 0.11 -0.08 -0.34 0.00 0.00 178.44 178.63 1pj4 h GLU 80 N 0.80 1.05 -0.47 1.25 4.81 -1.83 -1.63 114.58 118.57 1pj4 h GLU 80 Ca 0.21 -0.28 -0.12 0.00 -0.13 0.00 0.00 59.36 59.03 1pj4 h GLU 80 Cb 0.02 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1pj4 h GLU 80 CO -0.03 0.97 -0.19 0.87 -0.73 0.00 0.00 179.01 179.89 1pj4 h LYS 81 N 0.97 0.95 -0.17 1.92 1.57 -0.79 -2.61 116.57 118.41 1pj4 h LYS 81 Ca 0.20 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1pj4 h LYS 81 Cb 0.42 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1pj4 h LYS 81 CO 0.01 1.07 0.11 -0.92 -0.57 0.00 0.00 179.45 179.15 1pj4 h TYR 82 N 0.80 0.21 -0.96 -1.35 3.20 -0.43 -0.74 116.97 117.70 1pj4 h TYR 82 Ca 0.11 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.04 1pj4 h TYR 82 Cb 0.77 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.91 1pj4 h TYR 82 CO 0.05 0.13 0.63 0.82 -1.64 0.00 0.00 178.16 178.15 1pj4 h ILE 83 N 0.23 1.12 0.41 1.81 2.04 -1.22 -3.13 117.51 118.76 1pj4 h ILE 83 Ca 0.06 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1pj4 h ILE 83 Cb -0.02 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 35.92 1pj4 h ILE 83 CO -0.02 0.21 -0.20 0.22 0.00 0.00 0.00 178.15 178.37 1pj4 h TYR 84 N 1.15 -0.51 0.00 1.37 3.20 -1.14 -2.27 116.97 118.78 1pj4 h TYR 84 Ca 0.40 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.26 1pj4 h TYR 84 Cb 0.11 0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.55 1pj4 h TYR 84 CO -0.00 -0.21 0.00 0.44 -1.64 0.00 0.00 178.16 176.75 1pj4 n ILE 85 N -5.16 0.36 0.00 1.81 -5.35 -0.31 -2.20 119.36 108.51 1pj4 n ILE 85 Ca -0.09 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 1pj4 n ILE 85 Cb 0.27 -0.77 0.00 0.00 -1.74 0.00 0.00 39.64 37.40 1pj4 n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pj4 n GLY 87 N 1.12 0.00 0.21 3.28 0.00 -0.85 -3.01 105.19 105.94 1pj4 n GLY 87 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1pj4 n GLY 87 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pj4 h ILE 88 N 0.00 1.23 0.00 -0.61 2.04 -1.72 -1.94 117.51 116.51 1pj4 h ILE 88 Ca 0.00 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 1pj4 h ILE 88 Cb 0.00 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1pj4 h ILE 88 CO 0.00 0.32 -0.03 -0.61 0.00 0.00 0.00 178.15 177.84 1pj4 h GLN 89 N 0.13 0.00 -0.02 2.37 4.15 -1.78 0.25 115.11 120.21 1pj4 h GLN 89 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1pj4 h GLN 89 Cb 0.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1pj4 h GLN 89 CO 0.04 0.03 -0.12 0.39 -1.93 0.00 0.00 178.83 177.24 1pj4 n GLU 90 N -3.28 1.63 -0.02 1.69 -0.58 -0.74 -4.31 120.64 115.03 1pj4 n GLU 90 Ca -0.02 -1.16 -0.05 0.00 -0.42 0.00 0.00 57.16 55.51 1pj4 n GLU 90 Cb 0.17 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 29.54 1pj4 n GLU 90 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1pj4 n ARG 91 N 0.33 0.10 -3.44 3.49 1.74 -0.10 -4.42 116.66 114.37 1pj4 n ARG 91 Ca 0.15 0.04 -0.24 0.00 -0.77 0.00 0.00 57.85 57.03 1pj4 n ARG 91 Cb 0.44 -0.72 -0.11 0.00 -1.02 0.00 0.00 32.46 31.06 1pj4 n ARG 91 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1pj4 s ASN 92 N -5.30 2.36 0.13 0.55 3.84 0.67 -4.15 114.94 113.05 1pj4 s ASN 92 Ca -0.06 -1.57 -0.21 0.00 0.21 0.00 0.00 52.86 51.23 1pj4 s ASN 92 Cb 0.02 0.04 -0.02 0.00 -0.55 0.00 0.00 41.25 40.74 1pj4 s ASN 92 CO 0.08 -0.34 1.69 -0.08 -2.79 0.00 0.00 177.10 175.67 1pj4 h GLU 93 N 7.55 -0.06 -0.16 0.43 4.81 -1.20 0.28 114.58 126.23 1pj4 h GLU 93 Ca -0.03 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1pj4 h GLU 93 Cb 1.02 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.36 1pj4 h GLU 93 CO 0.30 -0.04 -0.21 0.87 -0.73 0.00 0.00 179.01 179.20 1pj4 h LYS 94 N -0.06 -0.24 -0.40 1.92 1.79 -1.85 -0.76 116.57 116.97 1pj4 h LYS 94 Ca 0.10 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.58 1pj4 h LYS 94 Cb 0.21 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 1pj4 h LYS 94 CO -0.22 -0.16 0.21 1.25 -1.08 0.00 0.00 179.45 179.45 1pj4 h LEU 95 N -0.25 0.48 0.11 2.94 5.85 -1.76 -0.51 115.31 122.17 1pj4 h LEU 95 Ca 0.11 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1pj4 h LEU 95 Cb 0.41 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1pj4 h LEU 95 CO -0.31 0.39 -0.17 0.15 -0.34 0.00 0.00 178.44 178.16 1pj4 h PHE 96 N 0.55 -0.44 -0.06 1.25 3.57 0.47 -0.44 116.94 121.84 1pj4 h PHE 96 Ca 0.14 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.53 1pj4 h PHE 96 Cb 0.02 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1pj4 h PHE 96 CO 0.00 -0.25 -0.52 1.88 -2.23 0.00 0.00 178.31 177.18 1pj4 h TYR 97 N -0.34 0.19 -0.74 0.41 -1.99 -0.92 -2.43 116.97 111.15 1pj4 h TYR 97 Ca 0.02 -0.06 0.01 0.00 2.00 0.00 0.00 58.73 60.69 1pj4 h TYR 97 Cb 0.35 -0.04 -0.04 0.00 2.00 0.00 0.00 36.73 39.00 1pj4 h TYR 97 CO -0.17 0.65 0.49 -0.09 -0.00 0.00 0.00 178.16 179.04 1pj4 h ARG 98 N 0.12 0.98 -0.47 4.88 9.65 -0.74 -0.21 114.38 128.59 1pj4 h ARG 98 Ca 0.00 -0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 58.78 1pj4 h ARG 98 Cb 0.97 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 29.31 1pj4 h ARG 98 CO 0.08 0.65 0.14 0.82 2.80 0.00 0.00 179.97 184.46 1pj4 h ILE 99 N 1.01 1.23 -0.18 1.20 5.03 -0.72 -1.44 117.51 123.63 1pj4 h ILE 99 Ca 0.27 -0.76 -0.01 0.00 -0.12 0.00 0.00 64.86 64.24 1pj4 h ILE 99 Cb -0.11 0.84 -0.01 0.00 -3.03 0.00 0.00 36.82 34.51 1pj4 h ILE 99 CO -0.06 0.28 0.09 -0.07 -0.68 0.00 0.00 178.15 177.70 1pj4 h LEU 100 N 0.62 0.24 -2.06 1.44 4.07 -1.15 -2.86 115.31 115.62 1pj4 h LEU 100 Ca 0.15 -0.12 0.03 0.00 0.08 0.00 0.00 57.88 58.01 1pj4 h LEU 100 Cb 0.28 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.95 1pj4 h LEU 100 CO -0.00 0.30 0.07 -0.61 -1.08 0.00 0.00 178.44 177.11 1pj4 h GLN 101 N 0.17 0.00 -0.51 1.13 4.15 -0.85 -0.11 115.11 119.08 1pj4 h GLN 101 Ca 0.06 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.43 1pj4 h GLN 101 Cb 0.12 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 1pj4 h GLN 101 CO -0.01 0.00 0.11 -0.44 -1.93 0.00 0.00 178.83 176.56 1pj4 h ASP 102 N 0.00 0.73 -0.42 -0.69 3.32 -1.02 -3.38 116.42 114.96 1pj4 h ASP 102 Ca 0.04 -0.13 -0.24 0.00 0.02 0.00 0.00 57.03 56.72 1pj4 h ASP 102 Cb 0.18 -0.19 -0.17 0.00 0.22 0.00 0.00 39.33 39.37 1pj4 h ASP 102 CO -0.00 0.73 -0.55 -0.67 -1.72 0.00 0.00 179.24 177.04 1pj4 n ASP 103 N -4.27 -2.75 -0.24 6.45 -0.08 -0.90 -5.01 116.55 109.75 1pj4 n ASP 103 Ca 0.03 -3.16 0.07 0.00 -1.51 0.00 0.00 54.79 50.23 1pj4 n ASP 103 Cb 0.23 1.59 0.33 0.00 2.34 0.00 0.00 41.12 45.60 1pj4 n ASP 103 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1pj4 h ILE 104 N 3.40 0.98 -0.75 5.18 6.09 -1.23 -2.75 117.51 128.43 1pj4 h ILE 104 Ca -0.08 -0.28 -0.01 0.00 -1.37 0.00 0.00 64.86 63.12 1pj4 h ILE 104 Cb 1.03 0.09 -0.04 0.00 0.47 0.00 0.00 36.82 38.38 1pj4 h ILE 104 CO 0.27 0.15 0.42 -0.08 -3.07 0.00 0.00 178.15 175.84 1pj4 h GLU 105 N 0.82 1.04 0.00 2.19 4.81 -1.86 -2.92 114.58 118.66 1pj4 h GLU 105 Ca 0.37 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 1pj4 h GLU 105 Cb 0.36 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1pj4 h GLU 105 CO -0.14 0.76 -0.41 0.66 -0.73 0.00 0.00 179.01 179.15 1pj4 h SER 106 N 1.03 0.00 -1.50 1.04 4.64 -1.90 -3.40 113.55 113.47 1pj4 h SER 106 Ca 0.27 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.89 1pj4 h SER 106 Cb 0.02 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 61.91 1pj4 h SER 106 CO -0.04 0.12 1.39 0.18 -0.87 0.00 0.00 176.83 177.61 1pj4 n LEU 107 N -3.01 7.42 0.00 5.97 4.77 -1.07 -4.58 117.00 126.50 1pj4 n LEU 107 Ca 0.02 -4.79 0.00 0.00 -0.03 0.00 0.00 56.01 51.21 1pj4 n LEU 107 Cb 0.59 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 1pj4 n LEU 107 CO 0.37 1.93 0.00 -2.65 -1.33 0.00 0.00 177.39 175.71 1pj4 n PRO 109 N 0.78 0.00 -0.10 3.23 -0.02 -1.26 -1.24 135.00 136.39 1pj4 n PRO 109 Ca 0.54 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.79 1pj4 n PRO 109 Cb 0.33 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.69 1pj4 n PRO 109 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1pj4 n ILE 110 N 0.00 1.57 0.12 4.25 5.41 -1.26 -2.47 119.36 126.98 1pj4 n ILE 110 Ca 0.00 -0.24 0.06 0.00 1.00 0.00 0.00 62.75 63.57 1pj4 n ILE 110 Cb 0.00 -1.92 0.02 0.00 -0.71 0.00 0.00 39.64 37.03 1pj4 n ILE 110 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 176.55 178.17 1pj4 h VAL 111 N -0.79 0.44 -1.73 1.39 3.04 -1.56 -3.36 116.25 113.68 1pj4 h VAL 111 Ca -0.46 -1.69 0.00 0.00 -1.01 0.00 0.00 66.70 63.54 1pj4 h VAL 111 Cb 1.52 2.07 0.00 0.00 -2.01 0.00 0.00 31.29 32.87 1pj4 h VAL 111 CO -0.22 0.25 0.00 0.00 -1.01 0.00 0.00 177.57 176.59 1pj4 n TYR 112 N -3.02 0.00 -2.03 3.17 9.36 -1.26 -4.57 117.16 118.82 1pj4 n TYR 112 Ca -0.01 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.81 1pj4 n TYR 112 Cb 0.68 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.38 1pj4 n TYR 112 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1pj4 s THR 113 N 1.49 2.54 -0.14 2.97 -1.32 -1.26 -1.46 115.64 118.45 1pj4 s THR 113 Ca 0.00 0.52 0.16 0.00 -1.21 0.00 0.00 61.69 61.16 1pj4 s THR 113 Cb 0.00 -3.32 -0.05 0.00 -1.51 0.00 0.00 72.50 67.62 1pj4 s THR 113 CO 0.00 0.10 1.08 1.55 -2.21 0.00 0.00 174.62 175.14 1pj4 h PRO 114 N 2.96 0.00 -0.91 7.08 0.13 -1.95 -3.35 132.00 135.96 1pj4 h PRO 114 Ca -0.50 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.75 1pj4 h PRO 114 Cb 1.24 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.30 1pj4 h PRO 114 CO 0.64 0.37 0.58 1.15 -0.23 0.00 0.00 178.00 180.51 1pj4 h THR 115 N 0.00 0.91 -0.22 1.56 2.02 -1.23 -0.97 112.91 114.99 1pj4 h THR 115 Ca -0.09 -0.29 0.06 0.00 0.77 0.00 0.00 66.41 66.86 1pj4 h THR 115 Cb 1.48 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1pj4 h THR 115 CO 0.05 0.15 0.17 1.62 0.37 0.00 0.00 175.52 177.88 1pj4 h VAL 116 N 0.84 0.78 -0.33 3.16 3.04 -1.40 0.19 116.25 122.53 1pj4 h VAL 116 Ca 0.44 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 66.04 1pj4 h VAL 116 Cb 0.53 0.88 -0.01 0.00 -2.01 0.00 0.00 31.29 30.68 1pj4 h VAL 116 CO -0.20 0.00 -0.16 1.23 -1.01 0.00 0.00 177.57 177.43 1pj4 h GLY 117 N 0.00 0.74 1.01 3.17 0.00 -1.43 -1.35 103.07 105.21 1pj4 h GLY 117 Ca 0.10 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 1pj4 h GLY 117 CO -0.00 0.61 0.37 -2.00 0.00 0.00 0.00 176.54 175.52 1pj4 h LEU 118 N 0.45 0.90 -0.46 3.11 5.85 -0.89 -2.35 115.31 121.92 1pj4 h LEU 118 Ca 0.07 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1pj4 h LEU 118 Cb 0.69 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1pj4 h LEU 118 CO 0.05 0.75 0.31 0.00 -0.34 0.00 0.00 178.44 179.20 1pj4 h ALA 119 N 1.18 0.59 -0.54 1.25 0.00 -0.47 -2.67 119.26 118.60 1pj4 h ALA 119 Ca 0.25 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1pj4 h ALA 119 Cb 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1pj4 h ALA 119 CO -0.04 0.04 0.33 0.00 0.00 0.00 0.00 179.25 179.58 1pj4 h SER 121 N 0.73 0.00 -0.04 0.00 0.02 -1.09 -1.78 113.55 111.38 1pj4 h SER 121 Ca 0.19 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1pj4 h SER 121 Cb -0.03 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 1pj4 h SER 121 CO -0.04 0.00 -0.04 0.00 -1.14 0.00 0.00 176.83 175.62 1pj4 n GLN 122 N -4.33 1.54 -0.27 3.45 6.02 -0.80 -4.84 117.38 118.16 1pj4 n GLN 122 Ca 0.07 -2.68 0.08 0.00 -0.01 0.00 0.00 57.00 54.47 1pj4 n GLN 122 Cb 0.52 -1.56 0.21 0.00 1.02 0.00 0.00 30.24 30.43 1pj4 n GLN 122 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1pj4 h TYR 123 N 0.34 0.14 0.00 1.08 3.20 0.37 0.14 116.97 122.25 1pj4 h TYR 123 Ca 0.00 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1pj4 h TYR 123 Cb 1.07 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.40 1pj4 h TYR 123 CO 0.14 -0.21 -0.12 0.78 -1.64 0.00 0.00 178.16 177.11 1pj4 h GLY 124 N 0.17 0.00 1.77 1.82 0.00 -1.84 -2.03 103.07 102.96 1pj4 h GLY 124 Ca 0.47 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.59 1pj4 h GLY 124 CO -0.64 0.00 -1.08 0.45 0.00 0.00 0.00 176.54 175.26 1pj4 h HIS 125 N 0.00 0.00 -0.15 5.60 3.86 -1.01 -3.34 115.15 120.11 1pj4 h HIS 125 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1pj4 h HIS 125 Cb 0.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1pj4 h HIS 125 CO 0.00 0.92 0.00 0.44 0.86 0.00 0.00 177.93 180.15 1pj4 n ILE 126 N -3.26 0.26 -1.63 2.45 -5.35 -1.00 -5.02 119.36 105.81 1pj4 n ILE 126 Ca -0.03 -0.63 -0.45 0.00 -0.27 0.00 0.00 62.75 61.37 1pj4 n ILE 126 Cb 0.93 1.13 -0.02 0.00 -1.74 0.00 0.00 39.64 39.94 1pj4 n ILE 126 CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 1pj4 n PHE 127 N 0.97 1.69 0.06 4.28 7.35 -0.77 -4.87 117.46 126.16 1pj4 n PHE 127 Ca 0.12 0.60 0.00 0.00 -0.76 0.00 0.00 57.45 57.41 1pj4 n PHE 127 Cb 0.45 -2.34 0.00 0.00 0.35 0.00 0.00 39.48 37.93 1pj4 n PHE 127 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1pj4 n ARG 128 N 1.30 0.00 -4.07 -4.13 1.74 -1.26 -5.09 116.66 105.16 1pj4 n ARG 128 Ca 0.11 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.05 1pj4 n ARG 128 Cb 0.31 -0.10 -0.13 0.00 -1.02 0.00 0.00 32.46 31.52 1pj4 n ARG 128 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1pj4 s ARG 129 N -2.00 0.40 0.52 5.56 0.52 -1.26 -5.16 118.95 117.54 1pj4 s ARG 129 Ca 0.00 -0.44 -0.12 0.00 -0.52 0.00 0.00 55.73 54.64 1pj4 s ARG 129 Cb 0.00 -0.26 -0.06 0.00 0.52 0.00 0.00 34.95 35.16 1pj4 s ARG 129 CO 0.00 0.06 0.94 -1.25 0.02 0.00 0.00 175.30 175.06 1pj4 s PRO 130 N -0.84 3.76 -0.00 3.54 0.04 -1.26 -5.08 135.00 135.16 1pj4 s PRO 130 Ca -0.05 0.72 0.01 0.00 0.04 0.00 0.00 61.00 61.72 1pj4 s PRO 130 Cb -0.06 -2.19 -0.00 0.00 0.04 0.00 0.00 34.50 32.28 1pj4 s PRO 130 CO -0.00 -0.31 -0.04 0.15 0.04 0.00 0.00 177.00 176.83 1pj4 s LYS 131 N -4.45 0.34 0.00 4.56 1.02 -1.26 -5.11 119.74 114.84 1pj4 s LYS 131 Ca 0.55 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 56.37 1pj4 s LYS 131 Cb -0.10 -0.31 0.00 0.00 -0.52 0.00 0.00 37.83 36.90 1pj4 s LYS 131 CO 0.40 0.08 0.00 0.41 -0.92 0.00 0.00 175.35 175.32 1pj4 n GLY 132 N 2.91 -1.01 3.80 -3.33 0.00 -1.26 -4.93 105.19 101.37 1pj4 n GLY 132 Ca -0.13 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 43.89 1pj4 n GLY 132 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pj4 s LEU 133 N -1.95 4.18 -0.19 0.99 1.43 0.13 -5.00 118.68 118.27 1pj4 s LEU 133 Ca 0.00 0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 53.42 1pj4 s LEU 133 Cb 0.00 -2.02 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 1pj4 s LEU 133 CO 0.00 0.34 -0.11 -0.36 0.23 0.00 0.00 176.35 176.46 1pj4 s PHE 134 N -0.64 2.87 -0.16 0.29 0.40 -1.26 -1.05 117.98 118.44 1pj4 s PHE 134 Ca 0.12 -1.11 0.02 0.00 -0.60 0.00 0.00 56.93 55.36 1pj4 s PHE 134 Cb -0.12 -2.00 0.01 0.00 0.51 0.00 0.00 43.02 41.42 1pj4 s PHE 134 CO 0.02 -0.57 -0.21 0.42 0.70 0.00 0.00 175.22 175.58 1pj4 s ILE 135 N 1.23 2.10 0.27 0.64 1.01 -0.31 -4.99 121.20 121.15 1pj4 s ILE 135 Ca 0.03 -0.95 0.10 0.00 0.00 0.00 0.00 60.65 59.82 1pj4 s ILE 135 Cb -0.14 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1pj4 s ILE 135 CO -0.05 0.54 -0.02 -0.94 0.00 0.00 0.00 174.94 174.48 1pj4 s SER 136 N 0.99 4.45 0.60 3.58 1.04 -1.26 0.27 113.70 123.37 1pj4 s SER 136 Ca -0.03 -0.69 0.31 0.00 0.48 0.00 0.00 55.95 56.02 1pj4 s SER 136 Cb -0.15 -0.78 1.80 0.00 0.10 0.00 0.00 66.02 66.99 1pj4 s SER 136 CO -0.06 -0.01 2.19 -0.29 0.98 0.00 0.00 173.24 176.05 1pj4 h ILE 137 N 1.91 0.44 0.00 -1.02 6.09 -1.23 0.40 117.51 124.11 1pj4 h ILE 137 Ca -0.44 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 1pj4 h ILE 137 Cb 1.25 0.92 0.00 0.00 0.47 0.00 0.00 36.82 39.46 1pj4 h ILE 137 CO 0.61 0.00 0.00 -1.20 -3.07 0.00 0.00 178.15 174.49 1pj4 n SER 138 N -3.73 0.48 -0.90 2.19 7.64 -1.26 -2.40 113.62 115.64 1pj4 n SER 138 Ca -0.01 0.60 0.12 0.00 1.01 0.00 0.00 58.87 60.59 1pj4 n SER 138 Cb 0.19 -0.71 0.25 0.00 -1.01 0.00 0.00 64.21 62.94 1pj4 n SER 138 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1pj4 n ASP 139 N -2.01 2.73 -4.65 6.43 8.00 0.14 -4.97 116.55 122.22 1pj4 n ASP 139 Ca 0.03 -1.88 -0.48 0.00 0.71 0.00 0.00 54.79 53.17 1pj4 n ASP 139 Cb 0.26 -0.12 -0.05 0.00 -0.02 0.00 0.00 41.12 41.18 1pj4 n ASP 139 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1pj4 n ARG 140 N 1.06 1.84 0.00 -1.24 1.85 -1.01 -0.44 116.66 118.72 1pj4 n ARG 140 Ca 0.17 0.67 0.00 0.00 -1.00 0.00 0.00 57.85 57.69 1pj4 n ARG 140 Cb 0.52 -2.40 0.00 0.00 -1.05 0.00 0.00 32.46 29.52 1pj4 n ARG 140 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1pj4 n GLY 141 N 3.28 0.59 0.48 2.89 0.00 -1.26 -4.86 105.19 106.32 1pj4 n GLY 141 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.23 1pj4 n GLY 141 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pj4 n HIS 142 N -1.99 0.00 -0.14 1.61 8.25 0.42 -4.86 115.22 118.51 1pj4 n HIS 142 Ca 0.00 -0.32 0.01 0.00 -0.26 0.00 0.00 57.72 57.15 1pj4 n HIS 142 Cb 0.00 -0.09 0.29 0.00 1.12 0.00 0.00 29.99 31.31 1pj4 n HIS 142 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1pj4 h VAL 143 N 5.17 1.17 -0.65 1.59 2.07 -1.88 -2.37 116.25 121.36 1pj4 h VAL 143 Ca -0.02 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1pj4 h VAL 143 Cb 1.33 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1pj4 h VAL 143 CO 0.01 0.18 0.32 -0.09 0.02 0.00 0.00 177.57 178.01 1pj4 h ARG 144 N 0.86 0.91 -0.01 1.57 9.65 -1.89 -0.60 114.38 124.87 1pj4 h ARG 144 Ca 0.23 -0.11 -0.06 0.00 -1.10 0.00 0.00 59.98 58.93 1pj4 h ARG 144 Cb -0.04 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.35 1pj4 h ARG 144 CO -0.04 0.70 -0.29 1.03 2.80 0.00 0.00 179.97 184.17 1pj4 h SER 145 N 0.91 0.02 -0.11 -3.80 0.87 -1.81 -0.47 113.55 109.15 1pj4 h SER 145 Ca 0.23 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.67 1pj4 h SER 145 Cb 0.08 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1pj4 h SER 145 CO -0.03 0.31 -0.35 0.40 -0.53 0.00 0.00 176.83 176.63 1pj4 h ILE 146 N 0.02 1.38 -0.05 2.23 2.04 -1.06 -3.11 117.51 118.97 1pj4 h ILE 146 Ca 0.00 -1.67 -0.03 0.00 1.00 0.00 0.00 64.86 64.15 1pj4 h ILE 146 Cb 0.52 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 1pj4 h ILE 146 CO 0.04 0.49 -0.13 0.58 0.00 0.00 0.00 178.15 179.13 1pj4 h VAL 147 N 0.01 1.12 0.00 1.67 2.07 -0.73 -1.51 116.25 118.88 1pj4 h VAL 147 Ca -0.01 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1pj4 h VAL 147 Cb 0.98 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1pj4 h VAL 147 CO 0.07 0.16 0.00 0.47 0.02 0.00 0.00 177.57 178.30 1pj4 n ASP 148 N -4.35 0.47 0.19 0.57 8.00 -0.22 -2.87 116.55 118.34 1pj4 n ASP 148 Ca -0.02 0.58 0.12 0.00 0.71 0.00 0.00 54.79 56.19 1pj4 n ASP 148 Cb 0.22 -0.70 0.16 0.00 -0.02 0.00 0.00 41.12 40.79 1pj4 n ASP 148 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1pj4 h ASN 149 N 0.00 0.00 -2.74 -2.24 2.35 -1.21 -3.45 115.58 108.29 1pj4 h ASN 149 Ca 0.00 -0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.21 1pj4 h ASN 149 Cb 0.46 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.85 1pj4 h ASN 149 CO 0.00 0.00 0.95 0.86 -1.65 0.00 0.00 177.43 177.60 1pj4 s TRP 150 N -3.22 2.61 0.45 1.19 -0.11 -1.14 -4.90 118.94 113.82 1pj4 s TRP 150 Ca 0.06 0.44 0.10 0.00 1.22 0.00 0.00 56.10 57.92 1pj4 s TRP 150 Cb 0.06 -3.93 1.00 0.00 -1.50 0.00 0.00 33.47 29.10 1pj4 s TRP 150 CO 0.68 -3.64 2.09 -1.00 -4.62 0.00 0.00 176.95 170.47 1pj4 h PRO 151 N 7.92 0.36 -6.68 5.86 0.13 -1.91 -3.44 132.00 134.23 1pj4 h PRO 151 Ca -0.42 -0.02 -0.51 0.00 -0.87 0.00 0.00 66.00 64.18 1pj4 h PRO 151 Cb 1.20 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1pj4 h PRO 151 CO 0.92 0.24 0.43 -1.21 -0.23 0.00 0.00 178.00 178.15 1pj4 s GLU 152 N -5.34 4.67 0.08 0.86 8.01 -1.26 -4.98 118.70 120.73 1pj4 s GLU 152 Ca -0.07 1.64 0.23 0.00 0.01 0.00 0.00 54.97 56.78 1pj4 s GLU 152 Cb 0.17 -3.28 -0.05 0.00 -4.31 0.00 0.00 34.13 26.66 1pj4 s GLU 152 CO 0.71 0.21 0.91 0.09 0.01 0.00 0.00 175.26 177.19 1pj4 n ASN 153 N 2.08 0.55 -3.28 -0.19 3.02 -1.26 -4.68 115.26 111.50 1pj4 n ASN 153 Ca 0.01 -0.02 -0.25 0.00 -0.03 0.00 0.00 54.58 54.29 1pj4 n ASN 153 Cb 0.47 0.96 -0.07 0.00 -0.61 0.00 0.00 39.78 40.53 1pj4 n ASN 153 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1pj4 n HIS 154 N -2.23 1.83 -2.62 3.10 -0.00 -1.26 -4.93 115.22 109.12 1pj4 n HIS 154 Ca 0.00 -3.88 -0.41 0.00 0.46 0.00 0.00 57.72 53.89 1pj4 n HIS 154 Cb 0.50 -0.46 -0.04 0.00 -0.12 0.00 0.00 29.99 29.86 1pj4 n HIS 154 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1pj4 s VAL 155 N -2.10 4.12 -0.02 3.57 1.01 -1.26 -4.53 120.40 121.19 1pj4 s VAL 155 Ca 0.39 1.84 0.03 0.00 0.00 0.00 0.00 61.98 64.23 1pj4 s VAL 155 Cb 0.18 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1pj4 s VAL 155 CO -0.06 0.32 0.07 0.29 0.00 0.00 0.00 175.10 175.71 1pj4 n LYS 156 N 2.40 0.85 -3.77 2.72 4.76 0.47 -4.90 118.16 120.69 1pj4 n LYS 156 Ca 0.02 -0.02 -0.14 0.00 -2.87 0.00 0.00 58.31 55.30 1pj4 n LYS 156 Cb 0.47 -1.01 -0.15 0.00 -1.84 0.00 0.00 35.03 32.51 1pj4 n LYS 156 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pj4 s ALA 157 N -2.07 -0.11 -0.03 7.82 0.00 -0.57 -1.42 121.76 125.38 1pj4 s ALA 157 Ca -0.01 0.46 0.05 0.00 0.00 0.00 0.00 51.96 52.47 1pj4 s ALA 157 Cb 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1pj4 s ALA 157 CO 0.11 -0.12 -0.18 0.08 0.00 0.00 0.00 175.76 175.65 1pj4 s VAL 158 N 0.98 1.47 -0.16 0.00 1.01 0.19 0.03 120.40 123.93 1pj4 s VAL 158 Ca -0.08 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1pj4 s VAL 158 Cb -0.11 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 35.05 1pj4 s VAL 158 CO -0.04 0.42 -0.18 -0.69 0.00 0.00 0.00 175.10 174.62 1pj4 s VAL 159 N -0.17 1.84 0.07 2.92 1.01 -0.90 -0.13 120.40 125.05 1pj4 s VAL 159 Ca 0.01 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.28 1pj4 s VAL 159 Cb -0.10 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1pj4 s VAL 159 CO 0.01 0.50 -0.25 0.54 0.00 0.00 0.00 175.10 175.90 1pj4 s VAL 160 N 1.35 2.07 0.07 2.92 0.11 -0.26 -1.08 120.40 125.58 1pj4 s VAL 160 Ca 0.04 -1.47 -0.07 0.00 -2.93 0.00 0.00 61.98 57.55 1pj4 s VAL 160 Cb -0.13 -1.80 -0.01 0.00 -1.53 0.00 0.00 36.38 32.91 1pj4 s VAL 160 CO -0.11 0.24 0.15 0.28 -3.33 0.00 0.00 175.10 172.33 1pj4 s THR 161 N -0.89 0.15 -0.38 5.04 -1.32 -0.90 -0.39 115.64 116.95 1pj4 s THR 161 Ca 0.11 -1.23 0.03 0.00 -1.21 0.00 0.00 61.69 59.40 1pj4 s THR 161 Cb -0.10 -1.26 0.06 0.00 -1.51 0.00 0.00 72.50 69.68 1pj4 s THR 161 CO 0.03 -0.68 0.80 -0.90 -2.21 0.00 0.00 174.62 171.66 1pj4 n ASP 162 N 0.15 1.69 -2.01 8.08 5.75 -1.26 -0.29 116.55 128.66 1pj4 n ASP 162 Ca -0.16 -1.49 -0.20 0.00 -0.01 0.00 0.00 54.79 52.93 1pj4 n ASP 162 Cb 0.61 -0.03 -0.04 0.00 -1.03 0.00 0.00 41.12 40.63 1pj4 n ASP 162 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pj4 n GLY 163 N 0.05 0.56 0.08 6.12 0.00 -1.26 -4.58 105.19 106.16 1pj4 n GLY 163 Ca 0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1pj4 n GLY 163 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pj4 h GLU 164 N 0.00 0.07 -2.30 1.61 4.81 -1.81 -0.75 114.58 116.22 1pj4 h GLU 164 Ca -0.46 -0.13 -0.59 0.00 -0.13 0.00 0.00 59.36 58.06 1pj4 h GLU 164 Cb 1.35 0.05 -0.40 0.00 0.63 0.00 0.00 28.75 30.38 1pj4 h GLU 164 CO 0.59 0.93 -0.84 -2.13 -0.73 0.00 0.00 179.01 176.82 1pj4 n ARG 165 N -3.32 1.34 -2.66 1.92 0.63 -1.02 -2.01 116.66 111.54 1pj4 n ARG 165 Ca -0.08 -3.85 -0.42 0.00 -0.92 0.00 0.00 57.85 52.58 1pj4 n ARG 165 Cb 0.99 -1.78 -0.03 0.00 0.45 0.00 0.00 32.46 32.09 1pj4 n ARG 165 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1pj4 s ILE 166 N -1.39 4.14 0.00 5.15 -1.09 -0.38 -4.42 121.20 123.22 1pj4 s ILE 166 Ca 0.35 0.73 0.00 0.00 -2.23 0.00 0.00 60.65 59.49 1pj4 s ILE 166 Cb 0.11 -4.66 0.00 0.00 -1.58 0.00 0.00 42.46 36.33 1pj4 s ILE 166 CO -0.11 -1.25 0.00 0.18 -1.23 0.00 0.00 174.94 172.53 1pj4 n LEU 167 N 8.10 0.00 -1.00 2.97 4.77 -1.26 -0.37 117.00 130.20 1pj4 n LEU 167 Ca 0.07 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.12 1pj4 n LEU 167 Cb 0.49 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.83 1pj4 n LEU 167 CO 0.69 0.00 0.72 0.61 -1.33 0.00 0.00 177.39 178.08 1pj4 n GLY 168 N 0.00 3.43 0.16 -0.72 0.00 0.21 -4.51 105.19 103.75 1pj4 n GLY 168 Ca 0.00 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.32 1pj4 n GLY 168 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pj4 h LEU 169 N 2.37 0.00 0.00 0.99 4.07 -0.90 -3.46 115.31 118.37 1pj4 h LEU 169 Ca 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1pj4 h LEU 169 Cb 1.29 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.03 1pj4 h LEU 169 CO 0.19 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 178.17 1pj4 n GLY 170 N 1.17 -0.29 3.60 0.83 0.00 -1.20 -4.89 105.19 104.42 1pj4 n GLY 170 Ca 0.03 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 1pj4 n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pj4 s ASP 171 N -4.00 6.67 -0.03 1.61 -1.08 -0.85 -1.25 116.67 117.75 1pj4 s ASP 171 Ca 0.00 0.52 0.04 0.00 -0.52 0.00 0.00 52.55 52.59 1pj4 s ASP 171 Cb 0.00 -2.52 0.07 0.00 -1.46 0.00 0.00 42.92 39.01 1pj4 s ASP 171 CO 0.00 -1.12 1.04 0.18 0.52 0.00 0.00 175.17 175.80 1pj4 n LEU 172 N 7.46 2.13 0.00 -1.34 4.77 -0.30 -4.55 117.00 125.16 1pj4 n LEU 172 Ca 0.11 -2.21 0.00 0.00 -0.03 0.00 0.00 56.01 53.88 1pj4 n LEU 172 Cb 0.48 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1pj4 n LEU 172 CO 0.67 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.89 1pj4 n GLY 173 N -0.62 1.93 0.33 -0.72 0.00 -1.11 -0.95 105.19 104.05 1pj4 n GLY 173 Ca 0.04 -0.33 0.20 0.00 0.00 0.00 0.00 46.02 45.92 1pj4 n GLY 173 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pj4 h VAL 174 N 0.00 0.16 0.00 1.61 2.07 -1.90 0.65 116.25 118.84 1pj4 h VAL 174 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1pj4 h VAL 174 Cb 0.00 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1pj4 h VAL 174 CO 0.00 0.00 0.00 1.88 0.02 0.00 0.00 177.57 179.47 1pj4 h TYR 175 N 0.00 0.00 -0.42 1.57 0.99 -1.34 -3.43 116.97 114.34 1pj4 h TYR 175 Ca 0.01 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.16 1pj4 h TYR 175 Cb 0.19 0.00 -0.04 0.00 1.00 0.00 0.00 36.73 37.88 1pj4 h TYR 175 CO 0.00 0.00 2.11 0.41 -0.00 0.00 0.00 178.16 180.68 1pj4 n GLY 176 N -1.12 2.54 3.72 3.88 0.00 0.22 -4.52 105.19 109.91 1pj4 n GLY 176 Ca -0.02 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1pj4 n GLY 176 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pj4 n GLY 178 N 5.07 0.00 0.13 -0.02 0.00 -1.26 -4.13 105.19 104.99 1pj4 n GLY 178 Ca 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 1pj4 n GLY 178 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pj4 h ILE 179 N 0.00 0.95 -0.74 -0.61 1.08 -1.89 -1.19 117.51 115.11 1pj4 h ILE 179 Ca 0.00 -0.71 -0.01 0.00 -0.39 0.00 0.00 64.86 63.75 1pj4 h ILE 179 Cb 0.00 1.37 -0.04 0.00 -3.07 0.00 0.00 36.82 35.09 1pj4 h ILE 179 CO 0.00 0.16 0.41 -0.65 -0.69 0.00 0.00 178.15 177.38 1pj4 h PRO 180 N -0.58 1.02 -0.39 2.37 0.11 -1.89 0.04 132.00 132.69 1pj4 h PRO 180 Ca -0.02 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 1pj4 h PRO 180 Cb 0.44 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 1pj4 h PRO 180 CO 0.04 0.75 0.24 0.28 -0.21 0.00 0.00 178.00 179.09 1pj4 h VAL 181 N 1.03 1.13 -0.54 3.15 2.07 -1.90 -1.02 116.25 120.17 1pj4 h VAL 181 Ca 0.26 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1pj4 h VAL 181 Cb 0.02 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1pj4 h VAL 181 CO -0.04 0.13 0.16 1.23 0.02 0.00 0.00 177.57 179.06 1pj4 h GLY 182 N 0.52 0.92 0.95 2.17 0.00 -0.72 -2.52 103.07 104.39 1pj4 h GLY 182 Ca 0.14 -0.56 0.01 0.00 0.00 0.00 0.00 47.33 46.92 1pj4 h GLY 182 CO -0.03 0.52 0.01 0.50 0.00 0.00 0.00 176.54 177.54 1pj4 h LYS 183 N 0.76 0.03 0.00 4.80 1.79 -0.71 -2.48 116.57 120.76 1pj4 h LYS 183 Ca 0.17 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 1pj4 h LYS 183 Cb 0.30 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1pj4 h LYS 183 CO -0.00 0.02 -0.06 -0.07 -1.08 0.00 0.00 179.45 178.26 1pj4 h LEU 184 N 0.03 0.00 -0.80 2.94 3.38 -1.10 -1.06 115.31 118.70 1pj4 h LEU 184 Ca 0.02 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1pj4 h LEU 184 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1pj4 h LEU 184 CO -0.03 0.06 -0.24 0.00 0.09 0.00 0.00 178.44 178.32 1pj4 h LEU 186 N 0.56 0.00 -0.14 0.00 3.38 -1.03 0.05 115.31 118.14 1pj4 h LEU 186 Ca 0.08 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1pj4 h LEU 186 Cb 0.71 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1pj4 h LEU 186 CO 0.05 0.54 -0.06 1.88 0.09 0.00 0.00 178.44 180.95 1pj4 h TYR 187 N 0.00 -0.13 0.00 1.13 -1.99 -0.88 -0.48 116.97 114.62 1pj4 h TYR 187 Ca -0.01 0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.69 1pj4 h TYR 187 Cb 1.23 0.08 0.00 0.00 2.00 0.00 0.00 36.73 40.04 1pj4 h TYR 187 CO 0.00 -0.09 -0.18 1.15 -0.00 0.00 0.00 178.16 179.04 1pj4 h THR 188 N -0.04 1.58 -0.43 -2.88 2.02 -1.44 -1.27 112.91 110.45 1pj4 h THR 188 Ca 0.07 -1.94 -0.06 0.00 0.77 0.00 0.00 66.41 65.26 1pj4 h THR 188 Cb 0.15 2.83 -0.02 0.00 -1.74 0.00 0.00 68.15 69.36 1pj4 h THR 188 CO -0.16 0.52 0.03 0.00 0.37 0.00 0.00 175.52 176.28 1pj4 h ALA 189 N 0.23 1.26 0.07 6.16 0.00 -1.00 -0.58 119.26 125.40 1pj4 h ALA 189 Ca -0.02 -0.22 -0.30 0.00 0.00 0.00 0.00 54.91 54.37 1pj4 h ALA 189 Cb 0.95 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1pj4 h ALA 189 CO 0.04 0.50 -1.60 0.00 0.00 0.00 0.00 179.25 178.18 1pj4 n ALA 191 N -3.18 2.31 -2.33 0.00 0.00 -0.49 -4.32 120.51 112.49 1pj4 n ALA 191 Ca -0.31 -0.85 -0.16 0.00 0.00 0.00 0.00 53.44 52.12 1pj4 n ALA 191 Cb 0.87 -0.32 -0.01 0.00 0.00 0.00 0.00 19.45 19.99 1pj4 n ALA 191 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj4 n GLY 192 N 0.39 -0.29 3.75 0.00 0.00 -0.22 -4.77 105.19 104.04 1pj4 n GLY 192 Ca 0.07 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 1pj4 n GLY 192 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pj4 s ILE 193 N -2.81 3.76 0.10 -0.61 1.01 -1.18 0.00 121.20 121.48 1pj4 s ILE 193 Ca 0.01 1.72 -0.31 0.00 0.00 0.00 0.00 60.65 62.07 1pj4 s ILE 193 Cb -0.00 -4.10 -0.09 0.00 0.01 0.00 0.00 42.46 38.28 1pj4 s ILE 193 CO 0.01 0.39 1.70 -0.13 0.00 0.00 0.00 174.94 176.91 1pj4 s ARG 194 N -1.14 4.18 0.23 2.79 0.52 -1.26 -4.15 118.95 120.11 1pj4 s ARG 194 Ca 0.44 2.42 -0.07 0.00 -0.52 0.00 0.00 55.73 58.00 1pj4 s ARG 194 Cb -0.29 -3.53 0.29 0.00 0.52 0.00 0.00 34.95 31.93 1pj4 s ARG 194 CO 0.37 -0.75 1.85 -1.35 0.02 0.00 0.00 175.30 175.43 1pj4 h PRO 195 N 8.19 0.88 0.00 3.54 0.11 -1.95 -1.30 132.00 141.47 1pj4 h PRO 195 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1pj4 h PRO 195 Cb 1.21 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1pj4 h PRO 195 CO 0.93 0.58 0.00 -0.40 -0.21 0.00 0.00 178.00 178.91 1pj4 n ASP 196 N -4.65 0.00 -0.76 -2.05 5.68 -1.26 -1.62 116.55 111.88 1pj4 n ASP 196 Ca 0.11 0.04 0.07 0.00 -0.50 0.00 0.00 54.79 54.51 1pj4 n ASP 196 Cb 0.15 -0.24 0.20 0.00 -1.14 0.00 0.00 41.12 40.09 1pj4 n ASP 196 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1pj4 n ARG 197 N -1.24 2.93 -4.44 0.11 1.74 -0.49 -4.64 116.66 110.63 1pj4 n ARG 197 Ca 0.06 -2.36 -0.32 0.00 -0.77 0.00 0.00 57.85 54.46 1pj4 n ARG 197 Cb 0.08 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 29.92 1pj4 n ARG 197 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pj4 s LEU 199 N -1.50 0.40 -0.04 0.00 2.96 0.11 -4.97 118.68 115.64 1pj4 s LEU 199 Ca 0.18 -0.53 -0.24 0.00 -0.22 0.00 0.00 54.13 53.32 1pj4 s LEU 199 Cb -0.11 -0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.27 1pj4 s LEU 199 CO 0.08 -0.33 0.71 -2.16 -1.32 0.00 0.00 176.35 173.33 1pj4 s PRO 200 N 2.11 4.44 0.01 0.98 0.04 -1.26 -2.11 135.00 139.21 1pj4 s PRO 200 Ca 0.02 0.91 0.05 0.00 0.04 0.00 0.00 61.00 62.02 1pj4 s PRO 200 Cb -0.16 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 30.95 1pj4 s PRO 200 CO -0.08 0.13 -0.15 0.08 0.04 0.00 0.00 177.00 177.02 1pj4 s VAL 201 N 0.55 1.16 -0.12 -0.36 1.01 -0.24 -0.69 120.40 121.71 1pj4 s VAL 201 Ca 0.37 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1pj4 s VAL 201 Cb -0.18 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1pj4 s VAL 201 CO 0.19 0.22 -0.17 0.00 0.00 0.00 0.00 175.10 175.35 1pj4 s ILE 203 N 1.02 5.22 -0.37 0.00 -1.09 0.60 -1.16 121.20 125.42 1pj4 s ILE 203 Ca -0.05 0.20 -0.07 0.00 -2.23 0.00 0.00 60.65 58.50 1pj4 s ILE 203 Cb -0.15 -3.69 0.05 0.00 -1.58 0.00 0.00 42.46 37.10 1pj4 s ILE 203 CO -0.03 0.09 0.16 -0.62 -1.23 0.00 0.00 174.94 173.31 1pj4 s ASP 204 N 1.71 5.44 -0.11 3.58 2.15 0.14 -4.29 116.67 125.30 1pj4 s ASP 204 Ca 0.11 -1.29 0.15 0.00 0.43 0.00 0.00 52.55 51.95 1pj4 s ASP 204 Cb -0.16 -1.91 0.24 0.00 -0.30 0.00 0.00 42.92 40.78 1pj4 s ASP 204 CO 0.11 -0.41 1.12 1.33 -0.17 0.00 0.00 175.17 177.15 1pj4 n VAL 205 N 4.84 1.68 0.00 1.11 0.24 -1.26 -0.61 118.33 124.32 1pj4 n VAL 205 Ca -0.11 -1.98 0.00 0.00 -2.04 0.00 0.00 64.34 60.21 1pj4 n VAL 205 Cb 0.44 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 1pj4 n VAL 205 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pj4 n GLY 206 N -1.24 -1.89 3.27 7.63 0.00 -1.26 -1.27 105.19 110.43 1pj4 n GLY 206 Ca 0.13 -2.21 -0.14 0.00 0.00 0.00 0.00 46.02 43.81 1pj4 n GLY 206 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pj4 s THR 207 N -0.84 0.04 -2.48 2.61 -1.32 -0.21 -4.47 115.64 108.97 1pj4 s THR 207 Ca 0.00 -0.31 0.26 0.00 -1.21 0.00 0.00 61.69 60.43 1pj4 s THR 207 Cb 0.00 -0.62 0.32 0.00 -1.51 0.00 0.00 72.50 70.69 1pj4 s THR 207 CO 0.00 -0.17 1.48 0.47 -2.21 0.00 0.00 174.62 174.19 1pj4 n ASP 208 N 1.70 1.97 -4.58 8.08 8.00 -1.26 -3.80 116.55 126.67 1pj4 n ASP 208 Ca -0.19 -1.56 -0.41 0.00 0.71 0.00 0.00 54.79 53.34 1pj4 n ASP 208 Cb 0.56 0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.72 1pj4 n ASP 208 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1pj4 s ASN 209 N -2.14 5.79 0.29 -2.24 3.84 -1.26 -4.86 114.94 114.36 1pj4 s ASN 209 Ca 0.30 0.65 -0.02 0.00 0.21 0.00 0.00 52.86 54.00 1pj4 s ASN 209 Cb 0.20 -2.53 0.43 0.00 -0.55 0.00 0.00 41.25 38.80 1pj4 s ASN 209 CO 0.38 -1.91 1.95 0.40 -2.79 0.00 0.00 177.10 175.14 1pj4 h ILE 210 N 6.68 1.22 -0.84 -5.21 1.08 -1.95 -2.60 117.51 115.89 1pj4 h ILE 210 Ca -0.29 -0.42 0.01 0.00 -0.39 0.00 0.00 64.86 63.77 1pj4 h ILE 210 Cb 1.14 0.04 -0.04 0.00 -3.07 0.00 0.00 36.82 34.89 1pj4 h ILE 210 CO 1.14 0.22 0.55 0.00 -0.69 0.00 0.00 178.15 179.37 1pj4 h ALA 211 N 1.46 1.06 -0.11 1.87 0.00 -2.00 -2.76 119.26 118.79 1pj4 h ALA 211 Ca 0.29 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1pj4 h ALA 211 Cb -0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 1pj4 h ALA 211 CO -0.06 0.46 -0.49 -0.07 0.00 0.00 0.00 179.25 179.09 1pj4 h LEU 212 N 1.12 0.31 -0.07 0.00 3.38 -1.86 -2.73 115.31 115.47 1pj4 h LEU 212 Ca 0.31 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1pj4 h LEU 212 Cb -0.12 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1pj4 h LEU 212 CO -0.07 0.75 0.00 0.18 0.09 0.00 0.00 178.44 179.39 1pj4 n LEU 213 N -3.96 0.06 -0.28 1.67 4.77 -1.05 -1.65 117.00 116.55 1pj4 n LEU 213 Ca -0.02 0.52 0.03 0.00 -0.03 0.00 0.00 56.01 56.51 1pj4 n LEU 213 Cb 0.54 -0.51 0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1pj4 n LEU 213 CO 0.43 -0.32 0.38 2.29 -1.33 0.00 0.00 177.39 178.85 1pj4 n LYS 214 N -1.56 0.28 -2.86 3.23 2.85 -1.06 -4.97 118.16 114.06 1pj4 n LYS 214 Ca 0.03 -1.01 -0.42 0.00 -1.05 0.00 0.00 58.31 55.86 1pj4 n LYS 214 Cb 0.15 -1.13 -0.04 0.00 -0.65 0.00 0.00 35.03 33.36 1pj4 n LYS 214 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1pj4 s ASP 215 N -0.61 6.88 0.12 -5.58 -1.08 -0.66 -4.94 116.67 110.81 1pj4 s ASP 215 Ca 0.09 1.10 0.19 0.00 -0.52 0.00 0.00 52.55 53.40 1pj4 s ASP 215 Cb 0.06 -2.45 0.79 0.00 -1.46 0.00 0.00 42.92 39.86 1pj4 s ASP 215 CO 0.09 -0.52 1.59 -0.81 0.52 0.00 0.00 175.17 176.03 1pj4 n PRO 216 N 5.94 0.09 0.00 4.34 -0.04 -1.26 -2.30 135.00 141.77 1pj4 n PRO 216 Ca 0.06 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 63.97 1pj4 n PRO 216 Cb 0.47 -1.67 0.14 0.00 -0.04 0.00 0.00 33.50 32.40 1pj4 n PRO 216 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1pj4 n PHE 217 N -1.84 0.00 0.00 0.54 3.72 -1.26 -5.17 117.46 113.45 1pj4 n PHE 217 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1pj4 n PHE 217 Cb 0.20 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 1pj4 n PHE 217 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1pj4 n TYR 218 N 0.74 -1.25 0.00 1.38 -0.00 -0.97 -4.48 117.16 112.58 1pj4 n TYR 218 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.03 1pj4 n TYR 218 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 1pj4 n TYR 218 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1pj4 n GLY 220 N 0.00 0.00 3.75 2.98 0.00 -1.26 -5.07 105.19 105.59 1pj4 n GLY 220 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1pj4 n GLY 220 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pj4 s LEU 221 N 0.00 4.40 -1.27 0.99 1.02 -1.26 -4.93 118.68 117.63 1pj4 s LEU 221 Ca 0.00 2.65 -0.13 0.00 0.02 0.00 0.00 54.13 56.68 1pj4 s LEU 221 Cb 0.00 -3.63 0.15 0.00 0.02 0.00 0.00 46.19 42.72 1pj4 s LEU 221 CO 0.00 -0.63 1.71 -1.22 0.02 0.00 0.00 176.35 176.22 1pj4 n TYR 222 N 1.85 4.06 -3.53 0.29 4.02 -1.26 -4.59 117.16 118.00 1pj4 n TYR 222 Ca 0.04 -3.05 -0.11 0.00 -0.01 0.00 0.00 57.90 54.77 1pj4 n TYR 222 Cb 0.41 -2.19 -0.03 0.00 -0.02 0.00 0.00 39.34 37.51 1pj4 n TYR 222 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1pj4 s GLN 223 N 1.60 1.17 0.79 -0.72 -2.07 -1.26 -5.09 119.66 114.08 1pj4 s GLN 223 Ca 0.43 -0.56 -0.10 0.00 -1.82 0.00 0.00 55.36 53.31 1pj4 s GLN 223 Cb 0.04 0.53 0.07 0.00 -1.09 0.00 0.00 33.01 32.56 1pj4 s GLN 223 CO 0.00 -0.48 1.10 0.15 -1.32 0.00 0.00 175.29 174.74 1pj4 s LYS 224 N -3.69 2.08 0.25 9.60 -0.14 -1.26 -1.04 119.74 125.55 1pj4 s LYS 224 Ca 0.01 1.19 -0.31 0.00 -1.36 0.00 0.00 55.97 55.51 1pj4 s LYS 224 Cb 0.00 -1.87 -0.11 0.00 -1.68 0.00 0.00 37.83 34.17 1pj4 s LYS 224 CO -0.12 -1.78 1.59 1.03 -0.76 0.00 0.00 175.35 175.32 1pj4 s ARG 225 N -4.88 4.16 -0.41 1.68 0.52 -1.25 -4.28 118.95 114.49 1pj4 s ARG 225 Ca 0.62 2.52 -0.27 0.00 -0.52 0.00 0.00 55.73 58.08 1pj4 s ARG 225 Cb -0.18 -3.06 0.02 0.00 0.52 0.00 0.00 34.95 32.25 1pj4 s ARG 225 CO 0.56 -0.62 0.98 0.34 0.02 0.00 0.00 175.30 176.59 1pj4 s ASP 226 N 0.69 6.65 -0.22 0.23 -1.08 -0.39 -4.88 116.67 117.66 1pj4 s ASP 226 Ca 0.66 0.48 0.14 0.00 -0.52 0.00 0.00 52.55 53.32 1pj4 s ASP 226 Cb -0.47 -2.49 0.58 0.00 -1.46 0.00 0.00 42.92 39.09 1pj4 s ASP 226 CO 0.42 -0.99 1.51 0.54 0.52 0.00 0.00 175.17 177.17 1pj4 n ARG 227 N 7.11 3.03 -1.65 4.34 1.74 -1.26 -4.59 116.66 125.38 1pj4 n ARG 227 Ca 0.08 -2.96 -0.12 0.00 -0.77 0.00 0.00 57.85 54.08 1pj4 n ARG 227 Cb 0.48 -1.93 0.06 0.00 -1.02 0.00 0.00 32.46 30.06 1pj4 n ARG 227 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1pj4 n THR 228 N -0.47 0.00 0.27 0.55 -2.24 -1.26 -4.94 114.28 106.18 1pj4 n THR 228 Ca 0.26 -0.84 0.15 0.00 -2.27 0.00 0.00 64.05 61.36 1pj4 n THR 228 Cb 1.01 -1.13 0.87 0.00 -2.10 0.00 0.00 70.33 68.98 1pj4 n THR 228 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1pj4 h GLN 229 N 0.00 0.00 -0.44 -0.78 -0.00 -2.01 -1.89 115.11 110.00 1pj4 h GLN 229 Ca -0.18 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.51 1pj4 h GLN 229 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.11 1pj4 h GLN 229 CO 0.19 0.00 0.29 1.96 0.00 0.00 0.00 178.83 181.27 1pj4 h GLN 230 N 0.00 0.41 0.16 1.69 4.20 -1.94 0.15 115.11 119.78 1pj4 h GLN 230 Ca 0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1pj4 h GLN 230 Cb 0.15 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1pj4 h GLN 230 CO -0.00 0.27 -0.07 -0.92 -0.67 0.00 0.00 178.83 177.44 1pj4 h TYR 231 N 0.42 -0.19 -0.77 2.96 3.20 -1.59 0.45 116.97 121.45 1pj4 h TYR 231 Ca 0.18 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 1pj4 h TYR 231 Cb 0.19 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 1pj4 h TYR 231 CO -0.00 0.05 0.45 -0.44 -1.64 0.00 0.00 178.16 176.59 1pj4 h ASP 232 N -0.43 0.93 -0.70 -2.11 3.45 -1.42 -1.24 116.42 114.90 1pj4 h ASP 232 Ca -0.02 -0.06 -0.05 0.00 0.43 0.00 0.00 57.03 57.33 1pj4 h ASP 232 Cb 0.33 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 38.84 1pj4 h ASP 232 CO 0.04 0.72 0.23 -0.78 -1.57 0.00 0.00 179.24 177.88 1pj4 h ASP 233 N 1.06 1.00 -0.26 6.45 3.58 -0.52 -1.16 116.42 126.57 1pj4 h ASP 233 Ca 0.28 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 1pj4 h ASP 233 Cb -0.03 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 1pj4 h ASP 233 CO -0.05 0.93 0.12 0.25 -2.88 0.00 0.00 179.24 177.62 1pj4 h LEU 234 N 1.01 0.34 -1.24 2.28 5.85 0.00 0.36 115.31 123.91 1pj4 h LEU 234 Ca 0.23 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1pj4 h LEU 234 Cb 0.28 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1pj4 h LEU 234 CO -0.01 0.37 0.14 0.40 -0.34 0.00 0.00 178.44 179.00 1pj4 h ILE 235 N 0.29 1.19 -0.31 4.05 1.08 -1.05 -0.45 117.51 122.30 1pj4 h ILE 235 Ca 0.09 -0.64 -0.02 0.00 -0.39 0.00 0.00 64.86 63.90 1pj4 h ILE 235 Cb 0.12 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 1pj4 h ILE 235 CO -0.01 0.24 0.10 0.44 -0.69 0.00 0.00 178.15 178.23 1pj4 h ASP 236 N 0.65 0.46 -0.42 1.72 3.45 -0.73 -2.80 116.42 118.75 1pj4 h ASP 236 Ca 0.15 -0.20 -0.03 0.00 0.43 0.00 0.00 57.03 57.38 1pj4 h ASP 236 Cb 0.20 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.83 1pj4 h ASP 236 CO -0.01 0.54 0.15 -0.08 -1.57 0.00 0.00 179.24 178.27 1pj4 h GLU 237 N 0.35 0.69 -0.62 3.56 4.81 -0.36 -2.20 114.58 120.81 1pj4 h GLU 237 Ca 0.10 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1pj4 h GLU 237 Cb 0.24 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1pj4 h GLU 237 CO -0.00 0.60 0.00 0.34 -0.73 0.00 0.00 179.01 179.22 1pj4 n PHE 238 N -4.33 0.00 0.00 0.92 7.35 -0.23 -0.79 117.46 120.38 1pj4 n PHE 238 Ca 0.03 -0.04 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1pj4 n PHE 238 Cb 0.18 -0.06 0.00 0.00 0.35 0.00 0.00 39.48 39.95 1pj4 n PHE 238 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1pj4 n LYS 240 N 0.42 0.00 -0.20 -4.13 4.81 -0.83 -0.80 118.16 117.43 1pj4 n LYS 240 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1pj4 n LYS 240 Cb 0.11 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.18 1pj4 n LYS 240 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pj4 h ALA 241 N 0.00 0.77 0.03 3.14 0.00 -1.23 0.02 119.26 121.99 1pj4 h ALA 241 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1pj4 h ALA 241 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1pj4 h ALA 241 CO 0.00 0.61 -0.02 0.82 0.00 0.00 0.00 179.25 180.66 1pj4 h ILE 242 N 0.90 1.03 -0.06 0.00 1.08 -1.22 -2.57 117.51 116.67 1pj4 h ILE 242 Ca 0.16 -0.20 -0.12 0.00 -0.39 0.00 0.00 64.86 64.31 1pj4 h ILE 242 Cb 0.57 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 35.46 1pj4 h ILE 242 CO 0.03 0.05 -0.52 0.71 -0.69 0.00 0.00 178.15 177.73 1pj4 h THR 243 N -0.13 1.36 -0.62 -0.27 1.35 -1.76 -1.30 112.91 111.53 1pj4 h THR 243 Ca -0.00 -1.79 -0.06 0.00 -0.55 0.00 0.00 66.41 64.01 1pj4 h THR 243 Cb 0.12 1.89 -0.03 0.00 -1.73 0.00 0.00 68.15 68.40 1pj4 h THR 243 CO 0.01 0.52 0.15 0.44 -0.25 0.00 0.00 175.52 176.40 1pj4 h ASP 244 N 0.14 0.91 0.16 5.36 5.19 -0.87 0.14 116.42 127.44 1pj4 h ASP 244 Ca 0.00 -0.17 -0.28 0.00 -0.62 0.00 0.00 57.03 55.96 1pj4 h ASP 244 Cb 0.97 -0.24 0.01 0.00 0.18 0.00 0.00 39.33 40.25 1pj4 h ASP 244 CO 0.08 0.88 -1.34 -0.09 -3.12 0.00 0.00 179.24 175.64 1pj4 h ARG 245 N 0.93 0.34 0.00 3.56 2.43 -1.35 -3.40 114.38 116.89 1pj4 h ARG 245 Ca 0.20 -0.58 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 1pj4 h ARG 245 Cb 0.32 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1pj4 h ARG 245 CO -0.00 1.28 -1.01 0.66 -1.51 0.00 0.00 179.97 179.39 1pj4 n TYR 246 N -3.88 0.00 0.00 2.20 4.02 -0.50 -5.04 117.16 113.96 1pj4 n TYR 246 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.68 1pj4 n TYR 246 Cb 0.95 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 40.23 1pj4 n TYR 246 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pj4 n GLY 247 N 1.45 3.28 0.30 2.72 0.00 0.47 -4.76 105.19 108.66 1pj4 n GLY 247 Ca 0.03 -1.67 0.20 0.00 0.00 0.00 0.00 46.02 44.58 1pj4 n GLY 247 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pj4 h ARG 248 N 0.00 0.00 -0.62 1.61 2.43 -1.94 -2.54 114.38 113.32 1pj4 h ARG 248 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1pj4 h ARG 248 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1pj4 h ARG 248 CO 0.00 0.00 0.02 0.27 -1.51 0.00 0.00 179.97 178.75 1pj4 n ASN 249 N -3.09 5.45 -4.70 -3.80 0.23 -1.26 -4.02 115.26 104.07 1pj4 n ASN 249 Ca -0.01 -2.91 -0.42 0.00 -0.53 0.00 0.00 54.58 50.71 1pj4 n ASN 249 Cb 0.20 -0.68 -0.03 0.00 -2.08 0.00 0.00 39.78 37.19 1pj4 n ASN 249 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1pj4 s THR 250 N -2.69 3.01 -0.00 5.53 2.01 -0.96 -4.85 115.64 117.69 1pj4 s THR 250 Ca 0.52 0.54 -0.30 0.00 0.31 0.00 0.00 61.69 62.76 1pj4 s THR 250 Cb 0.40 -3.35 -0.06 0.00 0.01 0.00 0.00 72.50 69.50 1pj4 s THR 250 CO 0.15 0.01 1.43 -0.22 -0.69 0.00 0.00 174.62 175.30 1pj4 s LEU 251 N 2.26 4.31 -0.28 4.42 0.20 -0.51 -4.32 118.68 124.77 1pj4 s LEU 251 Ca 0.72 2.13 0.03 0.00 0.69 0.00 0.00 54.13 57.70 1pj4 s LEU 251 Cb -0.40 -3.56 0.07 0.00 -0.43 0.00 0.00 46.19 41.87 1pj4 s LEU 251 CO 0.32 -0.75 -0.06 -0.63 -0.29 0.00 0.00 176.35 174.94 1pj4 s ILE 252 N 2.56 2.10 -0.33 6.68 1.01 -0.30 -0.64 121.20 132.28 1pj4 s ILE 252 Ca 0.65 -1.75 -0.15 0.00 0.00 0.00 0.00 60.65 59.40 1pj4 s ILE 252 Cb -0.32 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 1pj4 s ILE 252 CO 0.27 -0.18 0.35 -1.58 0.00 0.00 0.00 174.94 173.80 1pj4 s GLN 253 N 1.10 3.60 -0.02 2.79 0.74 0.82 -2.53 119.66 126.16 1pj4 s GLN 253 Ca -0.04 -0.39 -0.26 0.00 0.05 0.00 0.00 55.36 54.72 1pj4 s GLN 253 Cb -0.20 -3.79 -0.04 0.00 1.10 0.00 0.00 33.01 30.09 1pj4 s GLN 253 CO -0.06 -0.49 0.82 -0.06 -0.55 0.00 0.00 175.29 174.95 1pj4 s PHE 254 N 2.00 3.64 -0.02 1.67 0.40 -0.32 -1.11 117.98 124.24 1pj4 s PHE 254 Ca 0.12 1.46 0.02 0.00 -0.60 0.00 0.00 56.93 57.93 1pj4 s PHE 254 Cb -0.16 -2.93 0.00 0.00 0.51 0.00 0.00 43.02 40.44 1pj4 s PHE 254 CO 0.11 0.08 -0.08 -2.00 0.70 0.00 0.00 175.22 174.04 1pj4 s GLU 255 N 0.73 0.78 -1.39 0.44 2.56 0.48 -1.98 118.70 120.33 1pj4 s GLU 255 Ca 0.43 -0.26 -0.02 0.00 0.00 0.00 0.00 54.97 55.12 1pj4 s GLU 255 Cb -0.19 -0.75 0.00 0.00 2.00 0.00 0.00 34.13 35.19 1pj4 s GLU 255 CO 0.23 0.11 0.44 -0.25 -0.56 0.00 0.00 175.26 175.23 1pj4 n ASP 256 N 3.20 -0.60 -4.94 -1.70 9.92 -1.26 -4.12 116.55 117.05 1pj4 n ASP 256 Ca -0.17 -1.01 -0.25 0.00 -0.53 0.00 0.00 54.79 52.83 1pj4 n ASP 256 Cb 0.55 -3.06 -0.02 0.00 -0.64 0.00 0.00 41.12 37.94 1pj4 n ASP 256 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1pj4 s PHE 257 N -3.93 3.48 0.85 1.24 0.40 -1.26 -2.43 117.98 116.32 1pj4 s PHE 257 Ca 0.03 0.24 -0.12 0.00 -0.60 0.00 0.00 56.93 56.48 1pj4 s PHE 257 Cb -0.01 -1.78 0.11 0.00 0.51 0.00 0.00 43.02 41.85 1pj4 s PHE 257 CO 0.89 0.36 1.16 0.20 0.70 0.00 0.00 175.22 178.53 1pj4 s GLY 258 N -3.52 1.89 0.14 4.36 0.00 -1.26 -4.53 107.32 104.40 1pj4 s GLY 258 Ca 0.37 0.65 -0.29 0.00 0.00 0.00 0.00 44.72 45.46 1pj4 s GLY 258 CO 0.30 1.06 1.57 -0.57 0.00 0.00 0.00 173.10 175.46 1pj4 h ASN 259 N -1.33 -1.50 0.31 1.64 -0.73 -1.97 -0.07 115.58 111.93 1pj4 h ASN 259 Ca -0.44 0.21 -0.00 0.00 1.87 0.00 0.00 56.30 57.93 1pj4 h ASN 259 Cb 1.27 0.64 -0.01 0.00 0.27 0.00 0.00 38.32 40.49 1pj4 h ASN 259 CO 0.45 -0.39 -0.24 -0.74 -0.37 0.00 0.00 177.43 176.14 1pj4 h HIS 260 N -0.39 -0.63 -0.54 0.67 2.76 -2.02 -2.89 115.15 112.12 1pj4 h HIS 260 Ca 0.11 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.30 1pj4 h HIS 260 Cb 0.60 0.24 -0.03 0.00 1.55 0.00 0.00 27.41 29.77 1pj4 h HIS 260 CO -0.61 -0.36 0.36 -0.91 -1.30 0.00 0.00 177.93 175.10 1pj4 h ASN 261 N -0.55 0.58 0.41 3.26 -0.26 -1.90 -2.99 115.58 114.13 1pj4 h ASN 261 Ca -0.02 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.69 1pj4 h ASN 261 Cb 0.48 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.59 1pj4 h ASN 261 CO -0.01 0.41 -0.27 0.00 -1.06 0.00 0.00 177.43 176.50 1pj4 h ALA 262 N 1.67 -0.66 0.03 -0.83 0.00 -0.79 -0.31 119.26 118.38 1pj4 h ALA 262 Ca 0.21 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1pj4 h ALA 262 Cb -0.00 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1pj4 h ALA 262 CO -0.05 -0.89 -0.02 0.74 0.00 0.00 0.00 179.25 179.04 1pj4 h PHE 263 N -0.66 -0.04 0.00 0.00 -1.00 -1.54 -2.27 116.94 111.42 1pj4 h PHE 263 Ca -0.04 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.73 1pj4 h PHE 263 Cb 0.55 0.01 -0.00 0.00 3.61 0.00 0.00 35.95 40.13 1pj4 h PHE 263 CO -0.11 0.25 -0.05 0.07 -1.61 0.00 0.00 178.31 176.86 1pj4 h ARG 264 N -0.33 0.00 0.03 1.51 0.11 -1.53 0.15 114.38 114.32 1pj4 h ARG 264 Ca -0.00 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.86 1pj4 h ARG 264 Cb 0.31 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.37 1pj4 h ARG 264 CO 0.01 0.05 -0.99 0.74 0.10 0.00 0.00 179.97 179.88 1pj4 h PHE 265 N 0.00 0.28 0.08 4.08 0.05 -0.98 -1.32 116.94 119.12 1pj4 h PHE 265 Ca -0.00 -0.17 -0.00 0.00 3.82 0.00 0.00 57.97 61.61 1pj4 h PHE 265 Cb 0.09 -0.02 0.00 0.00 2.00 0.00 0.00 35.95 38.02 1pj4 h PHE 265 CO 0.00 1.05 -0.04 1.25 -0.18 0.00 0.00 178.31 180.39 1pj4 h LEU 266 N 0.08 -0.09 -0.61 1.54 5.85 -0.65 -1.28 115.31 120.15 1pj4 h LEU 266 Ca -0.06 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.36 1pj4 h LEU 266 Cb 1.67 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.69 1pj4 h LEU 266 CO 0.15 0.28 0.40 -0.09 -0.34 0.00 0.00 178.44 178.83 1pj4 h ARG 267 N -0.47 0.77 -0.13 1.25 2.43 -0.82 0.12 114.38 117.54 1pj4 h ARG 267 Ca -0.01 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 1pj4 h ARG 267 Cb 0.40 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1pj4 h ARG 267 CO 0.02 0.51 -0.32 -0.22 -1.51 0.00 0.00 179.97 178.45 1pj4 h LYS 268 N 0.80 0.26 0.00 0.20 3.64 -1.20 -3.36 116.57 116.90 1pj4 h LYS 268 Ca 0.23 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1pj4 h LYS 268 Cb -0.05 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1pj4 h LYS 268 CO -0.07 0.56 -1.57 0.66 -2.27 0.00 0.00 179.45 176.75 1pj4 n TYR 269 N -4.10 0.00 0.28 1.91 0.53 -0.49 -4.63 117.16 110.66 1pj4 n TYR 269 Ca -0.01 0.00 0.18 0.00 -1.02 0.00 0.00 57.90 57.04 1pj4 n TYR 269 Cb 0.42 -0.31 0.88 0.00 -1.03 0.00 0.00 39.34 39.30 1pj4 n TYR 269 CO 0.00 0.00 0.00 0.07 -1.02 0.00 0.00 176.86 175.91 1pj4 h ARG 270 N 0.00 0.00 0.00 -0.72 0.11 -0.91 0.16 114.38 113.02 1pj4 h ARG 270 Ca -0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1pj4 h ARG 270 Cb 0.70 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.78 1pj4 h ARG 270 CO 0.00 0.00 -1.33 0.39 0.10 0.00 0.00 179.97 179.14 1pj4 n GLU 271 N -3.19 0.27 -0.00 0.08 -0.58 -1.26 -4.43 120.64 111.53 1pj4 n GLU 271 Ca -0.00 -0.07 0.06 0.00 -0.42 0.00 0.00 57.16 56.73 1pj4 n GLU 271 Cb 0.35 -1.53 -0.09 0.00 -0.57 0.00 0.00 31.44 29.61 1pj4 n GLU 271 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1pj4 n LYS 272 N -1.84 0.76 -4.32 3.49 4.81 -0.24 -5.03 118.16 115.80 1pj4 n LYS 272 Ca 0.01 -0.10 -0.17 0.00 -0.87 0.00 0.00 58.31 57.18 1pj4 n LYS 272 Cb 0.43 -1.26 -0.10 0.00 0.02 0.00 0.00 35.03 34.12 1pj4 n LYS 272 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1pj4 s TYR 273 N -2.76 1.54 -0.83 5.64 1.51 0.41 -5.07 117.35 117.78 1pj4 s TYR 273 Ca -0.03 -1.29 -0.17 0.00 -1.01 0.00 0.00 57.07 54.56 1pj4 s TYR 273 Cb 0.08 -0.85 0.15 0.00 -0.11 0.00 0.00 41.96 41.23 1pj4 s TYR 273 CO 0.52 -0.46 0.94 0.00 -1.11 0.00 0.00 175.55 175.44 1pj4 s THR 275 N 1.94 0.13 0.16 0.00 -1.32 -1.26 -1.15 115.64 114.14 1pj4 s THR 275 Ca 0.24 -1.08 -0.18 0.00 -1.21 0.00 0.00 61.69 59.47 1pj4 s THR 275 Cb -0.10 -1.03 0.04 0.00 -1.51 0.00 0.00 72.50 69.89 1pj4 s THR 275 CO -0.06 -0.59 0.49 0.72 -2.21 0.00 0.00 174.62 172.96 1pj4 s PHE 276 N -2.94 -0.20 -0.21 9.09 -0.12 -1.05 -4.53 117.98 118.02 1pj4 s PHE 276 Ca -0.02 -0.11 -0.03 0.00 -0.05 0.00 0.00 56.93 56.71 1pj4 s PHE 276 Cb 0.01 0.36 -0.01 0.00 -0.63 0.00 0.00 43.02 42.75 1pj4 s PHE 276 CO -0.06 -0.83 -0.06 1.21 -0.05 0.00 0.00 175.22 175.43 1pj4 s ASN 277 N -2.83 4.17 0.44 1.98 3.84 -1.26 -1.18 114.94 120.10 1pj4 s ASN 277 Ca 0.06 -0.41 0.16 0.00 0.21 0.00 0.00 52.86 52.88 1pj4 s ASN 277 Cb 0.00 -1.71 1.01 0.00 -0.55 0.00 0.00 41.25 40.01 1pj4 s ASN 277 CO -0.08 -0.01 1.97 -0.78 -2.79 0.00 0.00 177.10 175.42 1pj4 h ASP 278 N 8.01 0.00 1.59 -4.21 3.58 -1.77 0.07 116.42 123.69 1pj4 h ASP 278 Ca -0.41 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1pj4 h ASP 278 Cb 1.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.21 1pj4 h ASP 278 CO 0.61 0.21 -0.33 0.44 -2.88 0.00 0.00 179.24 177.29 1pj4 h ASP 279 N 0.00 0.00 0.00 2.28 3.32 -1.95 -1.24 116.42 118.83 1pj4 h ASP 279 Ca -0.00 -0.01 -0.44 0.00 0.02 0.00 0.00 57.03 56.60 1pj4 h ASP 279 Cb 0.39 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 1pj4 h ASP 279 CO 0.03 0.01 -2.45 -0.38 -1.72 0.00 0.00 179.24 174.73 1pj4 n ILE 280 N -2.84 1.46 -0.04 0.35 5.41 -1.12 -3.21 119.36 119.37 1pj4 n ILE 280 Ca 0.03 -0.36 -0.21 0.00 1.00 0.00 0.00 62.75 63.21 1pj4 n ILE 280 Cb 0.52 -1.87 -0.13 0.00 -0.71 0.00 0.00 39.64 37.45 1pj4 n ILE 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pj4 n GLN 281 N -4.20 0.70 -0.08 0.38 6.02 -0.01 -3.19 117.38 117.00 1pj4 n GLN 281 Ca -0.51 0.31 -0.11 0.00 -0.01 0.00 0.00 57.00 56.67 1pj4 n GLN 281 Cb 0.86 -1.68 -0.04 0.00 1.02 0.00 0.00 30.24 30.40 1pj4 n GLN 281 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1pj4 h GLY 282 N 0.71 0.48 1.30 1.08 0.00 -1.46 -1.65 103.07 103.52 1pj4 h GLY 282 Ca -0.45 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 46.45 1pj4 h GLY 282 CO -0.03 0.32 -0.02 -0.84 0.00 0.00 0.00 176.54 175.98 1pj4 h THR 283 N 0.22 1.25 -0.56 4.70 2.02 -1.46 -2.50 112.91 116.58 1pj4 h THR 283 Ca 0.07 -1.06 0.03 0.00 0.77 0.00 0.00 66.41 66.21 1pj4 h THR 283 Cb 0.41 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 1pj4 h THR 283 CO 0.01 0.38 0.34 0.00 0.37 0.00 0.00 175.52 176.62 1pj4 h ALA 284 N 1.19 0.73 -0.48 6.16 0.00 -1.48 -1.49 119.26 123.89 1pj4 h ALA 284 Ca 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1pj4 h ALA 284 Cb 0.50 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1pj4 h ALA 284 CO 0.02 0.06 0.17 0.00 0.00 0.00 0.00 179.25 179.50 1pj4 h ALA 285 N 1.25 0.62 -0.28 0.00 0.00 -0.97 -1.55 119.26 118.33 1pj4 h ALA 285 Ca 0.23 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1pj4 h ALA 285 Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1pj4 h ALA 285 CO -0.10 0.26 -0.41 0.28 0.00 0.00 0.00 179.25 179.28 1pj4 h VAL 286 N 0.64 1.29 0.14 0.00 2.07 -1.28 -0.97 116.25 118.14 1pj4 h VAL 286 Ca 0.16 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 1pj4 h VAL 286 Cb 0.24 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1pj4 h VAL 286 CO -0.01 0.51 -0.07 0.00 0.02 0.00 0.00 177.57 178.02 1pj4 h ALA 287 N 0.99 -0.19 -0.62 1.67 0.00 -1.17 -1.59 119.26 118.35 1pj4 h ALA 287 Ca 0.04 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1pj4 h ALA 287 Cb 0.94 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1pj4 h ALA 287 CO 0.09 -0.59 0.33 1.25 0.00 0.00 0.00 179.25 180.32 1pj4 h LEU 288 N -0.22 0.47 -1.11 0.00 5.85 -1.15 -0.39 115.31 118.75 1pj4 h LEU 288 Ca -0.02 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.84 1pj4 h LEU 288 Cb 0.17 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 1pj4 h LEU 288 CO 0.03 0.31 0.61 0.00 -0.34 0.00 0.00 178.44 179.04 1pj4 h ALA 289 N 1.34 1.57 -0.44 1.25 0.00 -0.85 0.22 119.26 122.36 1pj4 h ALA 289 Ca 0.28 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1pj4 h ALA 289 Cb 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1pj4 h ALA 289 CO -0.19 0.23 -0.02 0.78 0.00 0.00 0.00 179.25 180.05 1pj4 h GLY 290 N 0.96 0.85 1.00 0.00 0.00 -0.11 -2.30 103.07 103.48 1pj4 h GLY 290 Ca 0.44 -0.65 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 1pj4 h GLY 290 CO -0.20 0.59 0.18 1.41 0.00 0.00 0.00 176.54 178.52 1pj4 h LEU 291 N 0.63 0.85 -1.13 3.11 -0.00 -0.23 -1.22 115.31 117.31 1pj4 h LEU 291 Ca 0.12 -0.21 0.01 0.00 -0.00 0.00 0.00 57.88 57.80 1pj4 h LEU 291 Cb 0.53 -0.22 -0.04 0.00 -0.00 0.00 0.00 40.66 40.92 1pj4 h LEU 291 CO 0.03 0.83 0.59 -0.07 -0.00 0.00 0.00 178.44 179.82 1pj4 h LEU 292 N 0.82 1.02 -0.34 1.67 4.07 -0.92 0.22 115.31 121.85 1pj4 h LEU 292 Ca 0.19 -0.03 -0.12 0.00 0.08 0.00 0.00 57.88 58.00 1pj4 h LEU 292 Cb 0.29 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 1pj4 h LEU 292 CO -0.01 0.74 -0.27 0.00 -1.08 0.00 0.00 178.44 177.82 1pj4 h ALA 293 N 1.45 0.49 -0.52 1.53 0.00 -1.08 -2.80 119.26 118.34 1pj4 h ALA 293 Ca 0.33 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1pj4 h ALA 293 Cb -0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1pj4 h ALA 293 CO -0.07 0.50 0.27 0.00 0.00 0.00 0.00 179.25 179.95 1pj4 h ALA 294 N 0.75 0.66 -0.23 0.00 0.00 -0.69 -2.01 119.26 117.74 1pj4 h ALA 294 Ca 0.06 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1pj4 h ALA 294 Cb 0.84 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1pj4 h ALA 294 CO 0.07 0.19 0.16 0.37 0.00 0.00 0.00 179.25 180.04 1pj4 h GLN 295 N 0.69 0.14 0.00 0.00 5.75 -0.91 0.16 115.11 120.94 1pj4 h GLN 295 Ca 0.18 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 1pj4 h GLN 295 Cb 0.07 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.58 1pj4 h GLN 295 CO -0.03 0.09 -0.04 0.87 -2.65 0.00 0.00 178.83 177.07 1pj4 h LYS 296 N 0.14 0.00 0.00 1.69 1.57 -1.09 0.55 116.57 119.43 1pj4 h LYS 296 Ca 0.10 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.64 1pj4 h LYS 296 Cb 0.23 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 1pj4 h LYS 296 CO -0.01 0.04 -2.25 0.28 -0.57 0.00 0.00 179.45 176.94 1pj4 n VAL 297 N -3.23 0.90 -0.09 0.50 0.31 0.39 -4.60 118.33 112.51 1pj4 n VAL 297 Ca -0.01 -0.73 -0.13 0.00 -0.01 0.00 0.00 64.34 63.46 1pj4 n VAL 297 Cb 0.24 -0.30 -0.14 0.00 -0.91 0.00 0.00 33.84 32.73 1pj4 n VAL 297 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1pj4 n ILE 298 N -2.57 1.48 -3.78 2.52 5.41 -0.18 -5.02 119.36 117.21 1pj4 n ILE 298 Ca -0.23 -0.74 -0.26 0.00 1.00 0.00 0.00 62.75 62.53 1pj4 n ILE 298 Cb 0.95 -0.95 0.02 0.00 -0.71 0.00 0.00 39.64 38.94 1pj4 n ILE 298 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1pj4 n SER 299 N -3.01 -2.24 -4.73 4.38 7.64 0.19 -4.93 113.62 110.91 1pj4 n SER 299 Ca -0.36 -0.95 -0.39 0.00 1.01 0.00 0.00 58.87 58.19 1pj4 n SER 299 Cb 1.08 -3.51 -0.05 0.00 -1.01 0.00 0.00 64.21 60.72 1pj4 n SER 299 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1pj4 s LYS 300 N -6.15 4.39 -0.17 1.43 2.20 -1.26 -5.00 119.74 115.18 1pj4 s LYS 300 Ca 0.16 0.75 -0.38 0.00 -0.36 0.00 0.00 55.97 56.14 1pj4 s LYS 300 Cb -0.05 -3.41 -0.14 0.00 -1.51 0.00 0.00 37.83 32.71 1pj4 s LYS 300 CO 0.85 0.17 1.75 -2.30 -0.36 0.00 0.00 175.35 175.47 1pj4 n PRO 301 N 3.45 1.53 -0.54 4.03 -0.02 -1.26 -4.80 135.00 137.39 1pj4 n PRO 301 Ca -0.04 0.56 0.45 0.00 -2.02 0.00 0.00 63.50 62.46 1pj4 n PRO 301 Cb 0.51 -2.30 0.77 0.00 -0.02 0.00 0.00 33.50 32.47 1pj4 n PRO 301 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1pj4 h ILE 302 N 5.08 0.13 0.00 4.25 6.09 -1.99 0.62 117.51 131.69 1pj4 h ILE 302 Ca -0.47 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 62.99 1pj4 h ILE 302 Cb 1.30 0.14 -0.00 0.00 0.47 0.00 0.00 36.82 38.73 1pj4 h ILE 302 CO 0.94 0.00 -0.16 0.77 -3.07 0.00 0.00 178.15 176.63 1pj4 h SER 303 N 0.00 0.00 -0.55 2.19 4.64 -2.02 -3.22 113.55 114.60 1pj4 h SER 303 Ca 0.78 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.10 1pj4 h SER 303 Cb 3.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 65.30 1pj4 h SER 303 CO -0.01 0.16 0.00 -0.62 -0.87 0.00 0.00 176.83 175.49 1pj4 n GLU 304 N -3.19 4.22 -2.88 4.77 1.02 0.22 -4.94 120.64 119.85 1pj4 n GLU 304 Ca 0.02 -2.78 -0.41 0.00 -0.02 0.00 0.00 57.16 53.97 1pj4 n GLU 304 Cb 0.51 -2.09 -0.04 0.00 -0.02 0.00 0.00 31.44 29.80 1pj4 n GLU 304 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1pj4 s HIS 305 N -2.35 3.70 -0.19 -0.32 3.76 -1.22 -4.86 115.29 113.81 1pj4 s HIS 305 Ca 0.49 1.54 -0.05 0.00 -0.15 0.00 0.00 55.06 56.89 1pj4 s HIS 305 Cb 0.35 -2.93 0.07 0.00 1.11 0.00 0.00 32.58 31.18 1pj4 s HIS 305 CO 0.17 0.16 0.11 0.21 -0.85 0.00 0.00 174.74 174.54 1pj4 s LYS 306 N 0.36 0.09 -0.19 1.40 2.47 -1.26 -4.77 119.74 117.84 1pj4 s LYS 306 Ca 0.43 -0.15 -0.06 0.00 -1.56 0.00 0.00 55.97 54.63 1pj4 s LYS 306 Cb -0.21 -1.66 -0.03 0.00 -1.46 0.00 0.00 37.83 34.47 1pj4 s LYS 306 CO 0.24 -0.74 0.03 0.42 0.16 0.00 0.00 175.35 175.47 1pj4 s ILE 307 N 2.15 4.35 -0.19 5.43 1.01 -0.03 0.07 121.20 133.98 1pj4 s ILE 307 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1pj4 s ILE 307 Cb -0.16 -2.96 0.02 0.00 0.01 0.00 0.00 42.46 39.37 1pj4 s ILE 307 CO -0.14 0.44 -0.17 -0.22 0.00 0.00 0.00 174.94 174.84 1pj4 s LEU 308 N 0.67 2.26 -0.07 2.97 2.96 -0.54 -0.29 118.68 126.63 1pj4 s LEU 308 Ca 0.01 -0.61 -0.14 0.00 -0.22 0.00 0.00 54.13 53.17 1pj4 s LEU 308 Cb -0.14 -1.52 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 1pj4 s LEU 308 CO 0.02 -0.00 0.34 -0.36 -1.32 0.00 0.00 176.35 175.03 1pj4 s PHE 309 N 1.32 3.62 -0.52 5.38 0.08 0.15 -1.94 117.98 126.07 1pj4 s PHE 309 Ca 0.05 0.81 -0.17 0.00 0.12 0.00 0.00 56.93 57.74 1pj4 s PHE 309 Cb -0.13 -2.27 0.10 0.00 -0.57 0.00 0.00 43.02 40.14 1pj4 s PHE 309 CO -0.11 0.51 0.52 -1.17 -0.10 0.00 0.00 175.22 174.87 1pj4 s LEU 310 N -0.52 5.70 0.00 -0.37 2.96 0.06 -0.75 118.68 125.76 1pj4 s LEU 310 Ca 0.21 -1.45 0.00 0.00 -0.22 0.00 0.00 54.13 52.66 1pj4 s LEU 310 Cb -0.15 -2.25 0.00 0.00 0.50 0.00 0.00 46.19 44.29 1pj4 s LEU 310 CO 0.09 -0.84 0.00 0.61 -1.32 0.00 0.00 176.35 174.89 1pj4 n GLY 311 N 5.23 2.77 2.69 7.98 0.00 0.44 -1.83 105.19 122.47 1pj4 n GLY 311 Ca -0.12 -1.81 -0.07 0.00 0.00 0.00 0.00 46.02 44.02 1pj4 n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj4 n ALA 312 N 0.51 2.85 -2.71 4.61 0.00 -1.26 -4.37 120.51 120.13 1pj4 n ALA 312 Ca 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 53.44 50.82 1pj4 n ALA 312 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1pj4 n ALA 312 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj4 n GLY 313 N -0.29 4.23 0.36 0.00 0.00 -1.26 -4.71 105.19 103.52 1pj4 n GLY 313 Ca 0.05 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.27 1pj4 n GLY 313 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pj4 h GLU 314 N 0.00 -0.21 0.00 1.61 5.08 -1.91 0.75 114.58 119.90 1pj4 h GLU 314 Ca 0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1pj4 h GLU 314 Cb 0.00 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1pj4 h GLU 314 CO 0.00 -0.14 -0.00 0.00 -1.00 0.00 0.00 179.01 177.87 1pj4 h ALA 315 N -0.11 -0.00 -0.27 3.43 0.00 -1.86 -1.28 119.26 119.17 1pj4 h ALA 315 Ca 0.08 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1pj4 h ALA 315 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1pj4 h ALA 315 CO -0.58 -0.42 -0.01 0.00 0.00 0.00 0.00 179.25 178.24 1pj4 h ALA 316 N 0.83 0.22 -0.45 0.00 0.00 -1.79 0.11 119.26 118.18 1pj4 h ALA 316 Ca -0.00 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1pj4 h ALA 316 Cb 0.17 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1pj4 h ALA 316 CO 0.00 -0.43 -0.17 -0.07 0.00 0.00 0.00 179.25 178.59 1pj4 h LEU 317 N 0.06 0.87 -0.24 0.00 3.38 -0.87 -0.08 115.31 118.44 1pj4 h LEU 317 Ca 0.13 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1pj4 h LEU 317 Cb 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1pj4 h LEU 317 CO -0.23 1.03 -0.04 1.23 0.09 0.00 0.00 178.44 180.53 1pj4 h GLY 318 N 0.95 0.48 0.90 0.83 0.00 -0.87 -2.07 103.07 103.29 1pj4 h GLY 318 Ca 0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1pj4 h GLY 318 CO 0.05 0.35 0.06 -2.22 0.00 0.00 0.00 176.54 174.79 1pj4 h ILE 319 N 0.19 1.13 -0.33 2.60 2.04 -0.71 -2.34 117.51 120.09 1pj4 h ILE 319 Ca 0.06 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.59 1pj4 h ILE 319 Cb 0.48 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.64 1pj4 h ILE 319 CO 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 178.15 178.28 1pj4 h ALA 320 N 0.92 0.29 -0.51 1.87 0.00 -0.99 0.20 119.26 121.04 1pj4 h ALA 320 Ca 0.05 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1pj4 h ALA 320 Cb 0.14 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1pj4 h ALA 320 CO -0.01 -0.41 0.25 -0.91 0.00 0.00 0.00 179.25 178.17 1pj4 h ASN 321 N 0.08 0.63 0.53 0.00 2.35 -1.31 -1.26 115.58 116.58 1pj4 h ASN 321 Ca 0.16 -0.05 -0.20 0.00 -0.55 0.00 0.00 56.30 55.66 1pj4 h ASN 321 Cb 0.23 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1pj4 h ASN 321 CO -0.28 0.53 -0.86 0.25 -1.65 0.00 0.00 177.43 175.42 1pj4 h LEU 322 N 0.71 0.30 -0.46 1.61 7.12 -0.72 -3.13 115.31 120.73 1pj4 h LEU 322 Ca 0.18 -0.23 -0.11 0.00 0.13 0.00 0.00 57.88 57.85 1pj4 h LEU 322 Cb 0.06 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.08 1pj4 h LEU 322 CO -0.03 1.02 -0.15 0.40 -0.13 0.00 0.00 178.44 179.55 1pj4 h ILE 323 N 0.13 1.27 0.00 4.05 2.04 -0.23 -2.72 117.51 122.06 1pj4 h ILE 323 Ca -0.04 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.53 1pj4 h ILE 323 Cb 1.47 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1pj4 h ILE 323 CO 0.13 0.44 0.00 0.52 0.00 0.00 0.00 178.15 179.24 1pj4 n VAL 324 N -4.21 0.03 -0.57 1.67 0.31 -0.51 -4.67 118.33 110.36 1pj4 n VAL 324 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1pj4 n VAL 324 Cb 0.41 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 1pj4 n VAL 324 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1pj4 n SER 326 N 0.84 -0.10 0.00 4.52 2.88 -1.03 -4.63 113.62 116.10 1pj4 n SER 326 Ca 0.00 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1pj4 n SER 326 Cb 0.02 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 1pj4 n SER 326 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1pj4 n VAL 328 N -0.45 0.00 1.43 2.46 0.24 -1.25 -2.88 118.33 117.88 1pj4 n VAL 328 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.32 1pj4 n VAL 328 Cb 0.05 0.00 0.11 0.00 -1.47 0.00 0.00 33.84 32.54 1pj4 n VAL 328 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1pj4 n GLU 329 N 0.00 0.71 -0.80 7.34 0.28 -1.26 -2.47 120.64 124.44 1pj4 n GLU 329 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.05 1pj4 n GLU 329 Cb 0.00 -1.08 0.11 0.00 1.43 0.00 0.00 31.44 31.89 1pj4 n GLU 329 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1pj4 n ASN 330 N -0.58 1.33 0.00 -1.84 5.03 -1.14 -5.05 115.26 113.01 1pj4 n ASN 330 Ca 0.03 -2.87 0.00 0.00 0.87 0.00 0.00 54.58 52.60 1pj4 n ASN 330 Cb 0.01 -0.39 0.00 0.00 -1.02 0.00 0.00 39.78 38.38 1pj4 n ASN 330 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pj4 n GLY 331 N -0.47 2.47 3.04 7.41 0.00 -1.03 -5.09 105.19 111.52 1pj4 n GLY 331 Ca 0.12 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 1pj4 n GLY 331 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj4 n LEU 332 N 0.00 -4.19 -4.93 0.99 4.32 -1.26 -4.86 117.00 107.07 1pj4 n LEU 332 Ca 0.00 0.50 -0.25 0.00 -0.02 0.00 0.00 56.01 56.24 1pj4 n LEU 332 Cb 0.00 -0.79 0.00 0.00 -1.62 0.00 0.00 43.42 41.01 1pj4 n LEU 332 CO 0.00 -4.95 0.32 -0.94 -1.22 0.00 0.00 177.39 170.60 1pj4 s SER 333 N -0.96 6.11 0.25 -1.43 1.04 -1.26 -3.90 113.70 113.55 1pj4 s SER 333 Ca 0.50 0.59 -0.03 0.00 0.48 0.00 0.00 55.95 57.49 1pj4 s SER 333 Cb -0.39 -1.95 0.46 0.00 0.10 0.00 0.00 66.02 64.24 1pj4 s SER 333 CO 0.68 -0.56 1.79 -0.08 0.98 0.00 0.00 173.24 176.05 1pj4 h GLU 334 N 0.41 0.68 0.04 4.02 4.81 -1.93 -1.15 114.58 121.46 1pj4 h GLU 334 Ca -0.48 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1pj4 h GLU 334 Cb 1.23 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1pj4 h GLU 334 CO 0.60 0.45 -0.02 0.37 -0.73 0.00 0.00 179.01 179.68 1pj4 h GLN 335 N 0.70 -0.06 0.00 1.92 -0.00 -2.00 -1.76 115.11 113.92 1pj4 h GLN 335 Ca 0.42 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 59.00 1pj4 h GLN 335 Cb 0.50 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.98 1pj4 h GLN 335 CO -0.30 -0.03 -0.36 1.05 0.00 0.00 0.00 178.83 179.18 1pj4 h GLU 336 N -0.06 0.00 -0.19 1.69 4.11 -1.87 -3.07 114.58 115.19 1pj4 h GLU 336 Ca -0.01 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.23 1pj4 h GLU 336 Cb 0.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.30 1pj4 h GLU 336 CO 0.01 0.36 -0.62 0.00 0.07 0.00 0.00 179.01 178.83 1pj4 h ALA 337 N 1.64 0.34 0.00 1.06 0.00 -1.06 -3.07 119.26 118.15 1pj4 h ALA 337 Ca -0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1pj4 h ALA 337 Cb 0.95 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1pj4 h ALA 337 CO 0.05 0.60 -0.11 1.96 0.00 0.00 0.00 179.25 181.75 1pj4 h GLN 338 N 0.49 0.00 0.00 0.00 4.20 -1.27 -1.98 115.11 116.55 1pj4 h GLN 338 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1pj4 h GLN 338 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1pj4 h GLN 338 CO 0.13 0.11 0.00 0.87 -0.67 0.00 0.00 178.83 179.27 1pj4 h LYS 339 N 0.00 0.00 -0.05 1.46 6.56 -1.44 -2.86 116.57 120.23 1pj4 h LYS 339 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1pj4 h LYS 339 Cb 0.33 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.99 1pj4 h LYS 339 CO 0.01 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 179.03 1pj4 n LYS 340 N -2.44 1.53 -4.25 3.15 5.02 -0.74 -4.82 118.16 115.61 1pj4 n LYS 340 Ca 0.04 -0.78 -0.34 0.00 -2.02 0.00 0.00 58.31 55.21 1pj4 n LYS 340 Cb 0.35 -1.45 -0.15 0.00 -0.02 0.00 0.00 35.03 33.77 1pj4 n LYS 340 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pj4 s ILE 341 N -1.95 2.70 0.00 -0.18 1.01 -1.08 -0.85 121.20 120.85 1pj4 s ILE 341 Ca 0.37 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1pj4 s ILE 341 Cb 0.20 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.50 1pj4 s ILE 341 CO 0.31 0.50 0.00 0.79 0.00 0.00 0.00 174.94 176.54 1pj4 n TRP 342 N 4.41 0.00 0.00 3.97 7.02 0.60 -4.81 117.44 128.63 1pj4 n TRP 342 Ca -0.19 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.29 1pj4 n TRP 342 Cb 0.51 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.40 1pj4 n TRP 342 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1pj4 n PHE 344 N 0.00 0.00 -2.46 -5.99 7.35 0.08 -0.67 117.46 115.76 1pj4 n PHE 344 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1pj4 n PHE 344 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1pj4 n PHE 344 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1pj4 n ASP 345 N 0.00 0.73 0.07 -2.13 5.75 -0.85 0.17 116.55 120.28 1pj4 n ASP 345 Ca 0.00 -0.10 0.08 0.00 -0.01 0.00 0.00 54.79 54.76 1pj4 n ASP 345 Cb 0.00 0.00 0.36 0.00 -1.03 0.00 0.00 41.12 40.45 1pj4 n ASP 345 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1pj4 n LYS 346 N -0.06 0.09 0.00 0.11 2.85 -1.26 -1.58 118.16 118.31 1pj4 n LYS 346 Ca 0.00 0.42 0.08 0.00 -1.05 0.00 0.00 58.31 57.76 1pj4 n LYS 346 Cb 0.00 -1.70 -0.01 0.00 -0.65 0.00 0.00 35.03 32.67 1pj4 n LYS 346 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1pj4 n TYR 347 N -1.87 0.00 0.00 5.58 4.02 -1.26 -5.10 117.16 118.53 1pj4 n TYR 347 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 1pj4 n TYR 347 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 1pj4 n TYR 347 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pj4 n GLY 348 N 1.18 -0.17 3.71 2.72 0.00 -0.61 -5.01 105.19 107.00 1pj4 n GLY 348 Ca 0.06 -2.26 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 1pj4 n GLY 348 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1pj4 n LEU 349 N 0.00 3.87 -4.56 0.99 7.94 -1.26 -2.01 117.00 121.97 1pj4 n LEU 349 Ca 0.00 1.11 -0.40 0.00 -1.11 0.00 0.00 56.01 55.60 1pj4 n LEU 349 Cb 0.00 -1.54 -0.03 0.00 0.53 0.00 0.00 43.42 42.38 1pj4 n LEU 349 CO 0.00 0.01 1.34 -0.76 -1.11 0.00 0.00 177.39 176.87 1pj4 s LEU 350 N 0.39 3.29 0.13 -1.96 2.01 -1.26 -4.94 118.68 116.34 1pj4 s LEU 350 Ca 0.71 0.07 0.08 0.00 0.01 0.00 0.00 54.13 55.00 1pj4 s LEU 350 Cb -0.55 -2.74 -0.04 0.00 0.01 0.00 0.00 46.19 42.87 1pj4 s LEU 350 CO 0.41 -1.95 -0.20 0.68 1.01 0.00 0.00 176.35 176.30 1pj4 s VAL 351 N 6.86 1.76 0.17 -1.59 -7.23 -1.26 -3.41 120.40 115.70 1pj4 s VAL 351 Ca 0.51 -1.72 -0.32 0.00 -1.81 0.00 0.00 61.98 58.65 1pj4 s VAL 351 Cb -0.11 -1.69 -0.10 0.00 0.56 0.00 0.00 36.38 35.04 1pj4 s VAL 351 CO 0.20 -0.18 1.61 -0.54 -0.31 0.00 0.00 175.10 175.89 1pj4 s LYS 352 N -2.33 4.19 0.00 4.82 1.02 0.10 -2.63 119.74 124.91 1pj4 s LYS 352 Ca 0.11 2.41 0.00 0.00 0.02 0.00 0.00 55.97 58.51 1pj4 s LYS 352 Cb -0.08 -3.18 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 1pj4 s LYS 352 CO 0.05 -0.65 0.00 0.41 -0.92 0.00 0.00 175.35 174.24 1pj4 n GLY 353 N 3.83 0.66 3.77 -3.33 0.00 -1.26 -4.66 105.19 104.20 1pj4 n GLY 353 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1pj4 n GLY 353 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pj4 s ARG 354 N -0.30 2.35 0.29 1.61 1.70 -1.08 -4.93 118.95 118.59 1pj4 s ARG 354 Ca 0.00 1.21 0.06 0.00 -0.47 0.00 0.00 55.73 56.53 1pj4 s ARG 354 Cb 0.00 -1.91 0.44 0.00 -0.57 0.00 0.00 34.95 32.91 1pj4 s ARG 354 CO 0.00 -1.58 1.70 -0.22 -1.08 0.00 0.00 175.30 174.12 1pj4 h LYS 355 N -0.91 0.28 -6.66 3.89 1.63 -1.97 -3.43 116.57 109.40 1pj4 h LYS 355 Ca -0.44 -0.13 -0.52 0.00 -0.85 0.00 0.00 60.65 58.71 1pj4 h LYS 355 Cb 1.23 -0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.87 1pj4 h LYS 355 CO 0.52 0.64 0.48 0.00 -3.45 0.00 0.00 179.45 177.63 1pj4 s ALA 356 N -4.19 3.37 1.00 5.00 0.00 -1.26 -4.99 121.76 120.70 1pj4 s ALA 356 Ca -0.05 0.82 -0.18 0.00 0.00 0.00 0.00 51.96 52.55 1pj4 s ALA 356 Cb 0.13 -3.36 -0.11 0.00 0.00 0.00 0.00 23.12 19.79 1pj4 s ALA 356 CO 0.78 -0.22 -0.70 1.63 0.00 0.00 0.00 175.76 177.24 1pj4 n LYS 357 N 2.38 -0.14 -3.31 0.00 4.01 -1.26 -5.02 118.16 114.81 1pj4 n LYS 357 Ca 0.03 -0.03 -0.08 0.00 -0.51 0.00 0.00 58.31 57.71 1pj4 n LYS 357 Cb 0.46 -1.19 -0.06 0.00 -0.51 0.00 0.00 35.03 33.73 1pj4 n LYS 357 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1pj4 s ILE 358 N -2.08 -0.65 0.88 -0.18 -1.09 -1.26 -5.06 121.20 111.76 1pj4 s ILE 358 Ca 0.43 -0.19 -0.12 0.00 -2.23 0.00 0.00 60.65 58.55 1pj4 s ILE 358 Cb -0.13 -0.92 0.16 0.00 -1.58 0.00 0.00 42.46 40.00 1pj4 s ILE 358 CO 0.76 -0.20 1.22 1.51 -1.23 0.00 0.00 174.94 176.99 1pj4 s ASP 359 N 2.56 3.62 0.24 3.58 -4.77 -1.26 -4.82 116.67 115.83 1pj4 s ASP 359 Ca 0.11 0.18 -0.04 0.00 -3.30 0.00 0.00 52.55 49.50 1pj4 s ASP 359 Cb -0.14 -0.38 0.46 0.00 -1.09 0.00 0.00 42.92 41.78 1pj4 s ASP 359 CO -0.24 -2.39 1.71 0.77 0.70 0.00 0.00 175.17 175.72 1pj4 h SER 360 N -1.27 0.19 0.38 2.11 4.64 -2.02 -1.84 113.55 115.74 1pj4 h SER 360 Ca -0.43 0.12 -0.08 0.00 -0.47 0.00 0.00 61.79 60.93 1pj4 h SER 360 Cb 1.25 0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 1pj4 h SER 360 CO 0.42 0.06 -0.38 1.88 -0.87 0.00 0.00 176.83 177.94 1pj4 h TYR 361 N 0.38 0.01 0.00 4.77 -1.99 -2.02 -3.10 116.97 115.02 1pj4 h TYR 361 Ca 0.41 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.12 1pj4 h TYR 361 Cb 0.66 -0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.38 1pj4 h TYR 361 CO -0.19 0.39 -0.65 1.96 -0.00 0.00 0.00 178.16 179.67 1pj4 h GLN 362 N 0.01 0.00 -0.60 4.88 4.20 -1.72 -3.39 115.11 118.49 1pj4 h GLN 362 Ca -0.00 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.83 1pj4 h GLN 362 Cb 0.68 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.35 1pj4 h GLN 362 CO 0.05 0.04 -0.11 1.49 -0.67 0.00 0.00 178.83 179.63 1pj4 h GLU 363 N 0.00 0.03 0.00 1.46 4.22 -1.31 -0.72 114.58 118.26 1pj4 h GLU 363 Ca -0.01 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1pj4 h GLU 363 Cb 1.06 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1pj4 h GLU 363 CO 0.01 0.02 0.06 -1.35 -2.18 0.00 0.00 179.01 175.56 1pj4 h PRO 364 N 0.03 0.00 -0.17 0.92 0.11 -1.77 -1.37 132.00 129.74 1pj4 h PRO 364 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 1pj4 h PRO 364 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1pj4 h PRO 364 CO -0.59 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.39 1pj4 n PHE 365 N -2.67 0.28 -3.37 0.65 3.01 -0.32 -4.72 117.46 110.31 1pj4 n PHE 365 Ca -0.02 -0.56 -0.45 0.00 1.01 0.00 0.00 57.45 57.43 1pj4 n PHE 365 Cb 0.11 -0.07 -0.07 0.00 -0.01 0.00 0.00 39.48 39.44 1pj4 n PHE 365 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1pj4 s THR 366 N -1.25 5.18 0.75 4.37 2.01 -0.52 -4.67 115.64 121.51 1pj4 s THR 366 Ca 0.15 -1.22 -0.03 0.00 0.31 0.00 0.00 61.69 60.91 1pj4 s THR 366 Cb 0.10 -4.17 0.14 0.00 0.01 0.00 0.00 72.50 68.57 1pj4 s THR 366 CO 0.08 -0.67 1.03 -1.00 -0.69 0.00 0.00 174.62 173.37 1pj4 s HIS 367 N 1.62 1.57 0.16 4.92 3.76 -1.22 -4.51 115.29 121.59 1pj4 s HIS 367 Ca 0.04 -0.21 -0.30 0.00 -0.15 0.00 0.00 55.06 54.43 1pj4 s HIS 367 Cb -0.26 -3.12 -0.07 0.00 1.11 0.00 0.00 32.58 30.24 1pj4 s HIS 367 CO 0.05 -1.82 1.04 -1.12 -0.85 0.00 0.00 174.74 172.04 1pj4 s SER 368 N -4.76 7.38 -0.03 1.40 0.01 -1.26 0.01 113.70 116.45 1pj4 s SER 368 Ca 0.67 1.98 -0.39 0.00 1.31 0.00 0.00 55.95 59.52 1pj4 s SER 368 Cb -0.05 -2.60 -0.18 0.00 0.21 0.00 0.00 66.02 63.40 1pj4 s SER 368 CO 0.45 -0.14 1.33 0.00 0.41 0.00 0.00 173.24 175.30 1pj4 n ALA 369 N 2.45 -1.70 -1.05 1.44 0.00 -1.26 -4.88 120.51 115.51 1pj4 n ALA 369 Ca 0.02 0.52 -0.14 0.00 0.00 0.00 0.00 53.44 53.84 1pj4 n ALA 369 Cb 0.47 -1.99 0.18 0.00 0.00 0.00 0.00 19.45 18.12 1pj4 n ALA 369 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1pj4 n PRO 370 N 2.71 -2.57 -0.27 0.00 -0.02 -1.26 -4.91 135.00 128.69 1pj4 n PRO 370 Ca 0.21 -1.28 -0.01 0.00 -2.02 0.00 0.00 63.50 60.40 1pj4 n PRO 370 Cb 0.13 -1.19 0.05 0.00 -0.02 0.00 0.00 33.50 32.47 1pj4 n PRO 370 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1pj4 h GLU 371 N 0.00 -0.06 -4.76 -0.52 3.07 -1.98 -3.39 114.58 106.93 1pj4 h GLU 371 Ca -0.30 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.12 1pj4 h GLU 371 Cb 0.92 0.01 -0.31 0.00 -0.84 0.00 0.00 28.75 28.54 1pj4 h GLU 371 CO 0.20 -0.04 -0.80 -1.54 -1.40 0.00 0.00 179.01 175.43 1pj4 s SER 372 N -5.23 1.37 -0.27 1.42 1.04 -1.26 -5.12 113.70 105.65 1pj4 s SER 372 Ca -0.14 -0.21 -0.27 0.00 0.48 0.00 0.00 55.95 55.80 1pj4 s SER 372 Cb 0.19 -0.33 0.01 0.00 0.10 0.00 0.00 66.02 65.99 1pj4 s SER 372 CO 0.72 0.09 0.97 -0.63 0.98 0.00 0.00 173.24 175.37 1pj4 s ILE 373 N 0.09 4.67 0.30 -1.02 1.01 -1.26 -5.01 121.20 119.98 1pj4 s ILE 373 Ca -0.02 1.70 -0.29 0.00 0.00 0.00 0.00 60.65 62.04 1pj4 s ILE 373 Cb -0.08 -4.28 -0.10 0.00 0.01 0.00 0.00 42.46 38.01 1pj4 s ILE 373 CO 0.01 -0.27 1.33 -2.16 0.00 0.00 0.00 174.94 173.85 1pj4 s PRO 374 N 3.23 4.34 -0.16 2.79 0.04 -1.26 -4.97 135.00 139.02 1pj4 s PRO 374 Ca 0.41 2.21 -0.08 0.00 0.04 0.00 0.00 61.00 63.57 1pj4 s PRO 374 Cb -0.14 -3.10 -0.23 0.00 0.04 0.00 0.00 34.50 31.07 1pj4 s PRO 374 CO 0.10 -0.24 0.23 -3.47 0.04 0.00 0.00 177.00 173.66 1pj4 n ASP 375 N 1.35 2.06 -4.83 6.66 2.03 -1.26 -4.55 116.55 118.00 1pj4 n ASP 375 Ca 0.02 0.20 -0.27 0.00 0.52 0.00 0.00 54.79 55.26 1pj4 n ASP 375 Cb 0.42 -0.82 -0.04 0.00 -0.72 0.00 0.00 41.12 39.96 1pj4 n ASP 375 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1pj4 s THR 376 N -2.52 1.74 0.25 5.18 -4.23 -1.26 -4.91 115.64 109.89 1pj4 s THR 376 Ca -0.26 -1.65 0.08 0.00 -1.18 0.00 0.00 61.69 58.68 1pj4 s THR 376 Cb 0.07 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.48 1pj4 s THR 376 CO 0.70 0.00 1.58 0.15 -0.54 0.00 0.00 174.62 176.51 1pj4 h PHE 377 N 1.06 0.12 -0.58 3.99 3.57 -1.94 -2.68 116.94 120.49 1pj4 h PHE 377 Ca -0.40 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.00 1pj4 h PHE 377 Cb 1.29 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 1pj4 h PHE 377 CO 1.00 0.70 0.16 1.49 -2.23 0.00 0.00 178.31 179.43 1pj4 h GLU 378 N 0.06 0.88 -0.63 1.11 4.81 -1.95 -1.10 114.58 117.76 1pj4 h GLU 378 Ca -0.01 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 58.99 1pj4 h GLU 378 Cb 1.13 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 1pj4 h GLU 378 CO 0.09 0.78 0.16 -0.44 -0.73 0.00 0.00 179.01 178.86 1pj4 h ASP 379 N 0.85 0.95 -0.64 1.04 3.32 -1.89 -1.88 116.42 118.17 1pj4 h ASP 379 Ca 0.19 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1pj4 h ASP 379 Cb 0.28 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1pj4 h ASP 379 CO -0.00 0.93 0.31 0.00 -1.72 0.00 0.00 179.24 178.75 1pj4 h ALA 380 N 1.05 1.28 -0.28 3.45 0.00 -1.10 -0.69 119.26 122.98 1pj4 h ALA 380 Ca 0.20 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1pj4 h ALA 380 Cb 0.35 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1pj4 h ALA 380 CO 0.00 0.55 -0.20 0.28 0.00 0.00 0.00 179.25 179.89 1pj4 h VAL 381 N 0.95 1.30 0.00 0.00 2.07 -0.90 -0.05 116.25 119.62 1pj4 h VAL 381 Ca 0.23 -1.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.40 1pj4 h VAL 381 Cb 0.12 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1pj4 h VAL 381 CO -0.03 0.42 -0.12 0.78 0.02 0.00 0.00 177.57 178.64 1pj4 h ASN 382 N 0.37 0.00 0.00 0.57 2.35 -1.10 0.48 115.58 118.25 1pj4 h ASN 382 Ca 0.06 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.61 1pj4 h ASN 382 Cb 0.74 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.08 1pj4 h ASN 382 CO 0.05 0.12 -1.18 -0.38 -1.65 0.00 0.00 177.43 174.39 1pj4 n ILE 383 N -3.20 1.51 0.18 2.81 5.41 -0.29 -4.39 119.36 121.39 1pj4 n ILE 383 Ca 0.01 0.00 0.07 0.00 1.00 0.00 0.00 62.75 63.84 1pj4 n ILE 383 Cb 0.44 -2.10 0.14 0.00 -0.71 0.00 0.00 39.64 37.41 1pj4 n ILE 383 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1pj4 h LEU 384 N -1.00 0.00 -2.19 1.39 4.07 -1.11 -3.48 115.31 112.99 1pj4 h LEU 384 Ca -0.30 0.00 -0.45 0.00 0.08 0.00 0.00 57.88 57.21 1pj4 h LEU 384 Cb 1.17 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.93 1pj4 h LEU 384 CO -0.18 0.30 -0.88 0.29 -1.08 0.00 0.00 178.44 176.89 1pj4 n LYS 385 N -3.20 -3.31 -1.23 1.13 5.02 0.16 -4.93 118.16 111.80 1pj4 n LYS 385 Ca 0.02 0.50 -0.32 0.00 -2.02 0.00 0.00 58.31 56.49 1pj4 n LYS 385 Cb 0.62 -4.67 0.10 0.00 -0.02 0.00 0.00 35.03 31.07 1pj4 n LYS 385 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1pj4 s PRO 386 N -6.18 2.00 0.02 1.97 0.04 -1.26 -4.93 135.00 126.66 1pj4 s PRO 386 Ca 0.12 1.42 0.22 0.00 0.04 0.00 0.00 61.00 62.80 1pj4 s PRO 386 Cb -0.04 -1.85 -0.22 0.00 0.04 0.00 0.00 34.50 32.43 1pj4 s PRO 386 CO 0.85 -1.88 0.69 -1.13 0.04 0.00 0.00 177.00 175.58 1pj4 n SER 387 N -3.37 0.34 -3.94 6.66 3.41 0.11 -4.86 113.62 111.96 1pj4 n SER 387 Ca 0.11 -0.11 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 1pj4 n SER 387 Cb 0.52 1.47 -0.15 0.00 -0.26 0.00 0.00 64.21 65.79 1pj4 n SER 387 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1pj4 s THR 388 N -3.38 0.46 -0.10 6.66 2.01 -0.91 -2.65 115.64 117.73 1pj4 s THR 388 Ca -0.03 -0.20 0.02 0.00 0.31 0.00 0.00 61.69 61.79 1pj4 s THR 388 Cb 0.14 -0.42 0.01 0.00 0.01 0.00 0.00 72.50 72.23 1pj4 s THR 388 CO 0.87 0.15 -0.17 -0.51 -0.69 0.00 0.00 174.62 174.28 1pj4 s ILE 389 N 0.17 1.58 -0.19 1.82 1.10 0.31 -1.47 121.20 124.53 1pj4 s ILE 389 Ca -0.02 -0.71 0.01 0.00 -0.51 0.00 0.00 60.65 59.42 1pj4 s ILE 389 Cb -0.06 -1.42 0.03 0.00 0.15 0.00 0.00 42.46 41.16 1pj4 s ILE 389 CO -0.00 0.46 -0.14 -0.63 -2.11 0.00 0.00 174.94 172.52 1pj4 s ILE 390 N 0.79 1.77 -0.37 2.00 1.01 -0.82 -1.11 121.20 124.47 1pj4 s ILE 390 Ca -0.11 -0.95 -0.18 0.00 0.00 0.00 0.00 60.65 59.41 1pj4 s ILE 390 Cb -0.16 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.57 1pj4 s ILE 390 CO 0.01 0.32 0.51 -0.83 0.00 0.00 0.00 174.94 174.95 1pj4 s GLY 391 N 1.37 1.82 -0.35 6.18 0.00 0.33 -0.76 107.32 115.90 1pj4 s GLY 391 Ca 0.01 -1.13 0.15 0.00 0.00 0.00 0.00 44.72 43.76 1pj4 s GLY 391 CO -0.10 1.28 0.99 3.33 0.00 0.00 0.00 173.10 178.60 1pj4 n VAL 392 N 5.48 0.61 0.41 1.40 0.24 -0.76 -0.84 118.33 124.87 1pj4 n VAL 392 Ca -0.05 -2.97 0.09 0.00 -2.04 0.00 0.00 64.34 59.37 1pj4 n VAL 392 Cb 0.49 0.62 -0.12 0.00 -1.47 0.00 0.00 33.84 33.35 1pj4 n VAL 392 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pj4 n ALA 393 N -0.08 3.48 -2.52 2.33 0.00 -1.16 -4.60 120.51 117.97 1pj4 n ALA 393 Ca 0.09 -0.47 -0.16 0.00 0.00 0.00 0.00 53.44 52.90 1pj4 n ALA 393 Cb 0.80 -0.64 -0.00 0.00 0.00 0.00 0.00 19.45 19.60 1pj4 n ALA 393 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj4 n GLY 394 N 1.44 -0.50 0.69 0.00 0.00 -1.26 -4.88 105.19 100.67 1pj4 n GLY 394 Ca -0.00 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.09 1pj4 n GLY 394 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj4 n ALA 395 N -2.32 2.99 0.00 4.61 0.00 -1.26 -4.80 120.51 119.74 1pj4 n ALA 395 Ca -0.17 -2.79 0.00 0.00 0.00 0.00 0.00 53.44 50.48 1pj4 n ALA 395 Cb 0.63 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.63 1pj4 n ALA 395 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj4 n GLY 396 N -0.74 -1.84 3.02 0.00 0.00 -0.94 -4.73 105.19 99.97 1pj4 n GLY 396 Ca 0.14 -1.81 -0.23 0.00 0.00 0.00 0.00 46.02 44.12 1pj4 n GLY 396 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pj4 n ARG 397 N 0.00 0.83 0.21 1.61 5.12 -1.16 -3.73 116.66 119.53 1pj4 n ARG 397 Ca 0.00 -1.11 0.13 0.00 -1.93 0.00 0.00 57.85 54.94 1pj4 n ARG 397 Cb 0.00 -2.40 0.35 0.00 -1.16 0.00 0.00 32.46 29.25 1pj4 n ARG 397 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1pj4 h LEU 398 N 11.97 0.00 -7.35 0.55 -0.00 -1.79 -3.35 115.31 115.34 1pj4 h LEU 398 Ca 0.26 0.00 -0.74 0.00 -0.00 0.00 0.00 57.88 57.41 1pj4 h LEU 398 Cb 0.32 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 40.82 1pj4 h LEU 398 CO 1.52 0.00 1.68 0.49 -0.00 0.00 0.00 178.44 182.13 1pj4 n PHE 399 N -2.89 4.38 -0.85 1.13 0.99 -0.42 -4.95 117.46 114.86 1pj4 n PHE 399 Ca 0.03 -3.15 -0.30 0.00 -0.00 0.00 0.00 57.45 54.04 1pj4 n PHE 399 Cb 0.44 -2.19 0.18 0.00 -1.00 0.00 0.00 39.48 36.91 1pj4 n PHE 399 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1pj4 s THR 400 N 1.59 2.32 0.35 4.37 -4.23 -1.26 -4.63 115.64 114.15 1pj4 s THR 400 Ca 0.43 0.10 0.09 0.00 -1.18 0.00 0.00 61.69 61.13 1pj4 s THR 400 Cb 0.02 -2.31 0.32 0.00 1.34 0.00 0.00 72.50 71.86 1pj4 s THR 400 CO 0.01 -0.14 1.86 -0.65 -0.54 0.00 0.00 174.62 175.16 1pj4 h PRO 401 N -1.95 0.69 -0.44 3.99 0.11 -1.94 -0.71 132.00 131.74 1pj4 h PRO 401 Ca -0.51 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.43 1pj4 h PRO 401 Cb 1.29 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1pj4 h PRO 401 CO 0.49 0.45 -0.26 -0.44 -0.21 0.00 0.00 178.00 178.04 1pj4 h ASP 402 N 0.71 0.95 -0.16 -2.05 3.32 -1.98 -0.11 116.42 117.09 1pj4 h ASP 402 Ca 0.46 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1pj4 h ASP 402 Cb 0.74 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1pj4 h ASP 402 CO -0.22 1.15 0.10 0.58 -1.72 0.00 0.00 179.24 179.13 1pj4 h VAL 403 N 0.79 1.06 -0.33 -1.35 2.07 -1.50 0.03 116.25 117.01 1pj4 h VAL 403 Ca 0.10 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1pj4 h VAL 403 Cb 0.82 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1pj4 h VAL 403 CO 0.07 0.05 0.09 0.40 0.02 0.00 0.00 177.57 178.20 1pj4 h ILE 404 N 0.21 1.22 -0.70 4.57 2.04 -1.18 -2.81 117.51 120.86 1pj4 h ILE 404 Ca 0.06 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1pj4 h ILE 404 Cb -0.00 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1pj4 h ILE 404 CO -0.01 0.24 0.36 0.03 0.00 0.00 0.00 178.15 178.77 1pj4 h ARG 405 N 0.38 0.98 -1.42 2.37 3.08 -0.89 -2.19 114.38 116.69 1pj4 h ARG 405 Ca 0.10 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1pj4 h ARG 405 Cb 0.28 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1pj4 h ARG 405 CO -0.00 0.74 0.00 0.00 -1.07 0.00 0.00 179.97 179.64 1pj4 n ALA 406 N -2.43 1.42 0.00 0.04 0.00 -0.02 -1.87 120.51 117.65 1pj4 n ALA 406 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1pj4 n ALA 406 Cb 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1pj4 n ALA 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pj4 n ALA 408 N 0.84 0.00 0.04 0.00 0.00 -0.82 -1.60 120.51 118.97 1pj4 n ALA 408 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1pj4 n ALA 408 Cb 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.34 1pj4 n ALA 408 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pj4 h SER 409 N 0.00 0.11 0.45 0.00 4.64 -1.66 -3.36 113.55 113.73 1pj4 h SER 409 Ca 0.00 -0.15 -0.31 0.00 -0.47 0.00 0.00 61.79 60.87 1pj4 h SER 409 Cb 0.00 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1pj4 h SER 409 CO 0.00 1.12 -1.45 0.40 -0.87 0.00 0.00 176.83 176.03 1pj4 h ILE 410 N 0.02 1.27 -4.30 0.95 2.04 -1.57 -3.46 117.51 112.45 1pj4 h ILE 410 Ca -0.14 -2.84 -0.70 0.00 1.00 0.00 0.00 64.86 62.19 1pj4 h ILE 410 Cb 1.90 2.87 -0.26 0.00 -0.74 0.00 0.00 36.82 40.58 1pj4 h ILE 410 CO 0.13 0.84 -0.87 0.20 0.00 0.00 0.00 178.15 178.45 1pj4 s ASN 411 N -7.18 3.24 0.04 1.72 0.01 -1.26 -5.03 114.94 106.48 1pj4 s ASN 411 Ca -0.08 -0.55 -0.21 0.00 -0.71 0.00 0.00 52.86 51.32 1pj4 s ASN 411 Cb 0.06 -0.34 -0.14 0.00 0.41 0.00 0.00 41.25 41.24 1pj4 s ASN 411 CO 0.88 0.27 1.35 -0.08 -1.51 0.00 0.00 177.10 178.01 1pj4 h GLU 412 N 4.87 0.34 -2.87 -0.60 4.57 -1.90 -3.37 114.58 115.61 1pj4 h GLU 412 Ca -0.46 -0.17 -0.61 0.00 -1.18 0.00 0.00 59.36 56.93 1pj4 h GLU 412 Cb 1.14 0.00 -0.41 0.00 -0.16 0.00 0.00 28.75 29.32 1pj4 h GLU 412 CO 0.45 0.71 -0.68 0.54 -1.18 0.00 0.00 179.01 178.85 1pj4 n ARG 413 N -4.58 1.45 -2.20 1.92 5.12 -1.26 -4.76 116.66 112.34 1pj4 n ARG 413 Ca -0.06 -4.17 -0.38 0.00 -1.93 0.00 0.00 57.85 51.31 1pj4 n ARG 413 Cb 0.35 -2.13 -0.01 0.00 -1.16 0.00 0.00 32.46 29.51 1pj4 n ARG 413 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1pj4 s PRO 414 N -1.13 3.86 -0.28 5.56 0.04 -1.25 -4.79 135.00 137.00 1pj4 s PRO 414 Ca 0.27 1.90 -0.09 0.00 0.04 0.00 0.00 61.00 63.13 1pj4 s PRO 414 Cb -0.01 -2.56 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 1pj4 s PRO 414 CO -0.17 -0.51 0.13 0.08 0.04 0.00 0.00 177.00 176.57 1pj4 s VAL 415 N -1.43 4.61 -0.17 -0.36 1.01 -1.08 -1.53 120.40 121.45 1pj4 s VAL 415 Ca 0.61 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.37 1pj4 s VAL 415 Cb -0.32 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 32.85 1pj4 s VAL 415 CO 0.40 0.21 -0.12 -0.63 0.00 0.00 0.00 175.10 174.95 1pj4 s ILE 416 N 1.64 1.58 -0.18 2.22 1.01 -0.71 -0.53 121.20 126.23 1pj4 s ILE 416 Ca 0.06 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 1pj4 s ILE 416 Cb -0.16 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1pj4 s ILE 416 CO 0.06 0.32 -0.14 -0.36 0.00 0.00 0.00 174.94 174.82 1pj4 s PHE 417 N 1.45 2.83 -0.73 3.97 0.40 -0.27 -2.75 117.98 122.89 1pj4 s PHE 417 Ca 0.02 -1.19 0.01 0.00 -0.60 0.00 0.00 56.93 55.18 1pj4 s PHE 417 Cb -0.14 -1.96 0.18 0.00 0.51 0.00 0.00 43.02 41.61 1pj4 s PHE 417 CO -0.09 -0.59 0.55 0.00 0.70 0.00 0.00 175.22 175.78 1pj4 s ALA 418 N 1.13 3.85 -1.40 5.36 0.00 -0.21 0.12 121.76 130.62 1pj4 s ALA 418 Ca 0.01 -3.67 0.28 0.00 0.00 0.00 0.00 51.96 48.58 1pj4 s ALA 418 Cb -0.14 -2.47 1.14 0.00 0.00 0.00 0.00 23.12 21.65 1pj4 s ALA 418 CO -0.05 -2.11 1.82 1.28 0.00 0.00 0.00 175.76 176.71 1pj4 n LEU 419 N 2.50 0.34 -4.77 0.00 4.77 -0.02 -1.80 117.00 118.02 1pj4 n LEU 419 Ca 0.16 0.13 -0.39 0.00 -0.03 0.00 0.00 56.01 55.88 1pj4 n LEU 419 Cb 0.36 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1pj4 n LEU 419 CO 0.32 0.07 0.86 -0.44 -1.33 0.00 0.00 177.39 176.87 1pj4 s SER 420 N -2.67 6.78 0.16 -1.43 0.01 -1.22 -4.11 113.70 111.21 1pj4 s SER 420 Ca 0.23 2.41 0.09 0.00 1.31 0.00 0.00 55.95 59.99 1pj4 s SER 420 Cb 0.19 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 1pj4 s SER 420 CO 0.52 -0.50 -0.19 0.20 0.41 0.00 0.00 173.24 173.67 1pj4 s ASN 421 N -0.91 2.73 0.83 2.44 0.01 -1.26 -3.64 114.94 115.13 1pj4 s ASN 421 Ca 0.52 -0.83 0.00 0.00 -0.71 0.00 0.00 52.86 51.84 1pj4 s ASN 421 Cb -0.33 -0.16 0.00 0.00 0.41 0.00 0.00 41.25 41.17 1pj4 s ASN 421 CO 0.43 -0.00 0.00 -0.81 -1.51 0.00 0.00 177.10 175.20 1pj4 n PRO 422 N 0.42 0.15 -0.30 -0.60 -0.04 -1.26 0.64 135.00 134.02 1pj4 n PRO 422 Ca -0.14 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.44 1pj4 n PRO 422 Cb 0.56 0.00 0.27 0.00 -0.04 0.00 0.00 33.50 34.29 1pj4 n PRO 422 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1pj4 h THR 423 N -0.84 0.28 0.00 0.52 2.02 -1.92 0.76 112.91 113.73 1pj4 h THR 423 Ca 0.00 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1pj4 h THR 423 Cb 0.00 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1pj4 h THR 423 CO 0.00 0.03 -0.07 0.00 0.37 0.00 0.00 175.52 175.85 1pj4 h ALA 424 N 1.79 1.38 -0.01 6.16 0.00 -1.94 -1.54 119.26 125.10 1pj4 h ALA 424 Ca 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1pj4 h ALA 424 Cb 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1pj4 h ALA 424 CO -0.69 0.09 -0.22 1.04 0.00 0.00 0.00 179.25 179.47 1pj4 n GLN 425 N -3.72 0.93 -1.84 0.00 1.13 0.25 -4.40 117.38 109.72 1pj4 n GLN 425 Ca -0.02 -0.53 -0.41 0.00 -1.94 0.00 0.00 57.00 54.09 1pj4 n GLN 425 Cb 0.17 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.03 1pj4 n GLN 425 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pj4 s ALA 426 N -2.44 3.58 0.51 -1.58 0.00 -0.58 -2.22 121.76 119.04 1pj4 s ALA 426 Ca 0.26 1.54 0.27 0.00 0.00 0.00 0.00 51.96 54.02 1pj4 s ALA 426 Cb 0.19 -3.60 1.59 0.00 0.00 0.00 0.00 23.12 21.30 1pj4 s ALA 426 CO 0.49 -1.00 2.16 0.93 0.00 0.00 0.00 175.76 178.35 1pj4 h GLU 427 N 3.27 0.00 -1.70 0.00 3.07 -1.83 -3.07 114.58 114.32 1pj4 h GLU 427 Ca -0.50 0.00 0.28 0.00 -0.50 0.00 0.00 59.36 58.64 1pj4 h GLU 427 Cb 1.24 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 29.03 1pj4 h GLU 427 CO 0.66 0.06 0.73 0.00 -1.40 0.00 0.00 179.01 179.06 1pj4 s THR 429 N -2.67 3.52 0.14 0.00 -4.23 -1.26 -4.91 115.64 106.23 1pj4 s THR 429 Ca 0.13 -1.13 -0.15 0.00 -1.18 0.00 0.00 61.69 59.36 1pj4 s THR 429 Cb 0.03 -3.21 0.01 0.00 1.34 0.00 0.00 72.50 70.67 1pj4 s THR 429 CO -0.02 -0.10 1.71 0.00 -0.54 0.00 0.00 174.62 175.66 1pj4 h ALA 430 N 0.93 0.55 -0.55 3.99 0.00 -1.97 -2.00 119.26 120.21 1pj4 h ALA 430 Ca -0.44 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.46 1pj4 h ALA 430 Cb 1.26 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 1pj4 h ALA 430 CO 0.53 0.12 0.10 0.93 0.00 0.00 0.00 179.25 180.93 1pj4 h GLU 431 N 0.55 0.22 -0.08 0.00 4.39 -1.95 -0.51 114.58 117.19 1pj4 h GLU 431 Ca 0.14 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1pj4 h GLU 431 Cb 0.14 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1pj4 h GLU 431 CO -0.02 0.15 0.02 0.93 -1.16 0.00 0.00 179.01 178.93 1pj4 h GLU 432 N 0.23 0.13 -0.07 2.33 5.08 -1.90 -1.88 114.58 118.51 1pj4 h GLU 432 Ca 0.29 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1pj4 h GLU 432 Cb 0.41 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1pj4 h GLU 432 CO -0.38 0.33 0.02 0.00 -1.00 0.00 0.00 179.01 177.97 1pj4 h ALA 433 N 0.80 0.07 -0.37 3.43 0.00 -0.94 -0.81 119.26 121.45 1pj4 h ALA 433 Ca 0.03 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1pj4 h ALA 433 Cb 0.25 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1pj4 h ALA 433 CO 0.00 -0.45 -0.14 1.88 0.00 0.00 0.00 179.25 180.54 1pj4 h TYR 434 N 0.06 0.86 0.03 0.00 0.99 -1.15 -2.97 116.97 114.79 1pj4 h TYR 434 Ca 0.03 -0.20 -0.00 0.00 2.00 0.00 0.00 58.73 60.55 1pj4 h TYR 434 Cb 0.01 -0.20 0.00 0.00 1.00 0.00 0.00 36.73 37.54 1pj4 h TYR 434 CO -0.09 0.92 -0.02 1.15 -0.00 0.00 0.00 178.16 180.12 1pj4 h THR 435 N 0.54 1.30 0.00 -2.88 2.02 -1.30 0.34 112.91 112.93 1pj4 h THR 435 Ca 0.09 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1pj4 h THR 435 Cb 0.68 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 1pj4 h THR 435 CO 0.05 0.27 0.00 0.18 0.37 0.00 0.00 175.52 176.39 1pj4 n LEU 436 N -4.88 0.31 -0.35 2.58 7.99 -0.31 -1.48 117.00 120.85 1pj4 n LEU 436 Ca -0.08 0.60 0.04 0.00 -0.01 0.00 0.00 56.01 56.56 1pj4 n LEU 436 Cb 0.25 -0.59 0.05 0.00 -0.11 0.00 0.00 43.42 43.02 1pj4 n LEU 436 CO 0.33 -0.54 0.43 0.35 -1.51 0.00 0.00 177.39 176.45 1pj4 n THR 437 N -1.87 0.25 -3.69 -5.08 -2.24 -1.12 -4.56 114.28 95.97 1pj4 n THR 437 Ca 0.01 -0.63 -0.25 0.00 -2.27 0.00 0.00 64.05 60.91 1pj4 n THR 437 Cb 0.12 1.00 0.06 0.00 -2.10 0.00 0.00 70.33 69.41 1pj4 n THR 437 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pj4 n GLU 438 N 0.39 -6.99 -1.13 -0.78 1.02 -0.55 -2.15 120.64 110.45 1pj4 n GLU 438 Ca 0.06 0.75 -0.04 0.00 -0.02 0.00 0.00 57.16 57.90 1pj4 n GLU 438 Cb 0.24 -5.73 -0.02 0.00 -0.02 0.00 0.00 31.44 25.91 1pj4 n GLU 438 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pj4 n GLY 439 N -1.83 0.69 0.00 0.62 0.00 0.11 -4.91 105.19 99.88 1pj4 n GLY 439 Ca -0.02 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.72 1pj4 n GLY 439 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pj4 n ARG 440 N -2.23 0.05 -2.57 1.61 1.74 -0.91 -4.97 116.66 109.37 1pj4 n ARG 440 Ca -0.04 -0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.79 1pj4 n ARG 440 Cb 0.22 -1.51 0.04 0.00 -1.02 0.00 0.00 32.46 30.19 1pj4 n ARG 440 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pj4 s LEU 442 N -4.87 3.53 0.03 0.00 1.43 -0.58 -4.95 118.68 113.27 1pj4 s LEU 442 Ca 0.55 -1.26 0.05 0.00 -1.03 0.00 0.00 54.13 52.43 1pj4 s LEU 442 Cb -0.10 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1pj4 s LEU 442 CO 0.41 -0.20 -0.10 0.12 0.23 0.00 0.00 176.35 176.81 1pj4 s PHE 443 N 1.19 2.77 -0.08 0.29 5.36 -1.26 -1.75 117.98 124.50 1pj4 s PHE 443 Ca -0.06 -0.12 -0.10 0.00 -0.96 0.00 0.00 56.93 55.69 1pj4 s PHE 443 Cb -0.19 -1.53 0.02 0.00 -0.34 0.00 0.00 43.02 40.98 1pj4 s PHE 443 CO -0.04 0.35 0.27 0.00 -1.46 0.00 0.00 175.22 174.34 1pj4 s ALA 444 N -1.02 -0.66 0.11 11.12 0.00 -1.11 -3.61 121.76 126.59 1pj4 s ALA 444 Ca 0.17 0.63 0.03 0.00 0.00 0.00 0.00 51.96 52.79 1pj4 s ALA 444 Cb -0.11 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1pj4 s ALA 444 CO 0.08 -0.15 -0.08 -1.54 0.00 0.00 0.00 175.76 174.07 1pj4 s SER 445 N -0.19 1.34 0.03 0.00 1.04 -0.90 -1.04 113.70 113.97 1pj4 s SER 445 Ca -0.03 -1.00 -0.18 0.00 0.48 0.00 0.00 55.95 55.22 1pj4 s SER 445 Cb -0.03 0.06 -0.26 0.00 0.10 0.00 0.00 66.02 65.89 1pj4 s SER 445 CO 0.01 -0.42 1.09 1.23 0.98 0.00 0.00 173.24 176.13 1pj4 h GLY 446 N 2.94 0.58 -3.31 7.32 0.00 -1.51 0.37 103.07 109.46 1pj4 h GLY 446 Ca -0.36 -1.13 -0.51 0.00 0.00 0.00 0.00 47.33 45.34 1pj4 h GLY 446 CO 0.64 0.99 -0.26 -0.56 0.00 0.00 0.00 176.54 177.35 1pj4 s SER 447 N -7.09 6.37 0.32 0.19 0.01 -1.26 -4.50 113.70 107.73 1pj4 s SER 447 Ca -0.11 0.46 -0.28 0.00 1.31 0.00 0.00 55.95 57.33 1pj4 s SER 447 Cb 0.04 -2.03 -0.09 0.00 0.21 0.00 0.00 66.02 64.15 1pj4 s SER 447 CO 0.88 -0.14 1.09 -2.16 0.41 0.00 0.00 173.24 173.31 1pj4 s PRO 448 N -3.67 4.49 0.00 12.44 0.04 -1.26 -4.95 135.00 142.09 1pj4 s PRO 448 Ca 0.40 1.73 0.02 0.00 0.04 0.00 0.00 61.00 63.18 1pj4 s PRO 448 Cb -0.10 -3.00 -0.01 0.00 0.04 0.00 0.00 34.50 31.43 1pj4 s PRO 448 CO 0.31 0.10 -0.05 -0.06 0.04 0.00 0.00 177.00 177.34 1pj4 s PHE 449 N -1.30 0.45 0.92 0.56 0.40 -1.26 -5.02 117.98 112.73 1pj4 s PHE 449 Ca 0.48 -0.13 -0.14 0.00 -0.60 0.00 0.00 56.93 56.54 1pj4 s PHE 449 Cb -0.29 -0.29 0.17 0.00 0.51 0.00 0.00 43.02 43.12 1pj4 s PHE 449 CO 0.37 -0.02 1.28 0.20 0.70 0.00 0.00 175.22 177.75 1pj4 s GLY 450 N -0.27 1.74 0.61 4.36 0.00 -1.26 -4.75 107.32 107.74 1pj4 s GLY 450 Ca 0.01 -1.09 -0.18 0.00 0.00 0.00 0.00 44.72 43.45 1pj4 s GLY 450 CO -0.00 -0.40 0.99 -1.05 0.00 0.00 0.00 173.10 172.64 1pj4 n PRO 451 N -3.62 0.92 -4.93 2.90 -0.02 -1.26 -4.73 135.00 124.25 1pj4 n PRO 451 Ca 0.13 0.36 -0.32 0.00 -2.02 0.00 0.00 63.50 61.65 1pj4 n PRO 451 Cb 0.60 -2.20 -0.16 0.00 -0.02 0.00 0.00 33.50 31.72 1pj4 n PRO 451 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pj4 s VAL 452 N -1.50 2.34 -0.21 -1.45 1.01 0.70 -4.95 120.40 116.32 1pj4 s VAL 452 Ca 0.76 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1pj4 s VAL 452 Cb -0.41 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1pj4 s VAL 452 CO 0.46 0.54 -0.06 -0.75 0.00 0.00 0.00 175.10 175.30 1pj4 s LYS 453 N 0.50 3.33 0.52 2.72 2.20 -1.26 0.27 119.74 128.03 1pj4 s LYS 453 Ca -0.13 -0.65 -0.10 0.00 -0.36 0.00 0.00 55.97 54.73 1pj4 s LYS 453 Cb -0.17 -2.96 -0.05 0.00 -1.51 0.00 0.00 37.83 33.15 1pj4 s LYS 453 CO 0.05 -0.20 0.91 -0.51 -0.36 0.00 0.00 175.35 175.24 1pj4 s LEU 454 N 1.45 3.52 0.62 5.43 1.43 0.10 -4.93 118.68 126.29 1pj4 s LEU 454 Ca 0.06 1.27 0.28 0.00 -1.03 0.00 0.00 54.13 54.70 1pj4 s LEU 454 Cb -0.14 -4.24 1.42 0.00 0.03 0.00 0.00 46.19 43.25 1pj4 s LEU 454 CO -0.04 -0.65 1.82 0.71 0.23 0.00 0.00 176.35 178.42 1pj4 h THR 455 N 0.32 0.22 -0.21 5.49 1.35 -1.99 0.43 112.91 118.51 1pj4 h THR 455 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1pj4 h THR 455 Cb 1.19 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1pj4 h THR 455 CO 0.62 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.99 1pj4 n ASP 456 N -3.39 1.38 0.00 5.36 5.68 -1.26 -4.92 116.55 119.40 1pj4 n ASP 456 Ca 0.06 -1.85 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 1pj4 n ASP 456 Cb 0.66 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1pj4 n ASP 456 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pj4 n GLY 457 N 0.99 2.18 3.77 6.12 0.00 0.15 -5.05 105.19 113.34 1pj4 n GLY 457 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1pj4 n GLY 457 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pj4 s ARG 458 N -0.63 4.31 -0.16 1.61 0.52 -1.25 -4.76 118.95 118.59 1pj4 s ARG 458 Ca 0.00 2.05 -0.01 0.00 -0.52 0.00 0.00 55.73 57.25 1pj4 s ARG 458 Cb 0.00 -2.98 -0.01 0.00 0.52 0.00 0.00 34.95 32.49 1pj4 s ARG 458 CO 0.00 -0.17 -0.12 0.08 0.02 0.00 0.00 175.30 175.11 1pj4 s VAL 459 N -1.22 2.95 -0.11 3.52 1.01 -1.26 -0.73 120.40 124.57 1pj4 s VAL 459 Ca 0.51 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1pj4 s VAL 459 Cb -0.36 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1pj4 s VAL 459 CO 0.47 0.50 -0.14 -0.36 0.00 0.00 0.00 175.10 175.57 1pj4 s PHE 460 N 0.74 2.77 -0.41 5.22 0.08 0.14 -4.94 117.98 121.58 1pj4 s PHE 460 Ca -0.05 -0.57 -0.06 0.00 0.12 0.00 0.00 56.93 56.37 1pj4 s PHE 460 Cb -0.15 -1.79 0.10 0.00 -0.57 0.00 0.00 43.02 40.61 1pj4 s PHE 460 CO 0.01 -0.14 0.22 0.99 -0.10 0.00 0.00 175.22 176.20 1pj4 s THR 461 N 0.12 3.69 0.37 0.64 2.01 -1.06 -0.22 115.64 121.20 1pj4 s THR 461 Ca -0.07 -1.73 -0.26 0.00 0.31 0.00 0.00 61.69 59.94 1pj4 s THR 461 Cb -0.15 -3.38 -0.09 0.00 0.01 0.00 0.00 72.50 68.89 1pj4 s THR 461 CO 0.05 -0.58 1.11 -2.16 -0.69 0.00 0.00 174.62 172.35 1pj4 s PRO 462 N 1.28 4.21 0.46 4.92 0.04 -1.26 -3.66 135.00 140.98 1pj4 s PRO 462 Ca 0.05 1.72 -0.03 0.00 0.04 0.00 0.00 61.00 62.78 1pj4 s PRO 462 Cb -0.23 -2.74 -0.02 0.00 0.04 0.00 0.00 34.50 31.55 1pj4 s PRO 462 CO -0.01 -0.15 0.72 0.20 0.04 0.00 0.00 177.00 177.80 1pj4 s GLY 463 N -1.23 1.48 -0.45 0.56 0.00 -1.24 -4.91 107.32 101.54 1pj4 s GLY 463 Ca 0.55 -0.73 -0.08 0.00 0.00 0.00 0.00 44.72 44.46 1pj4 s GLY 463 CO 0.35 -0.57 0.30 1.62 0.00 0.00 0.00 173.10 174.80 1pj4 s GLN 464 N -4.64 2.37 -1.33 2.90 0.74 -1.26 -2.12 119.66 116.32 1pj4 s GLN 464 Ca 0.46 -1.75 -0.17 0.00 0.05 0.00 0.00 55.36 53.95 1pj4 s GLN 464 Cb -0.10 -3.82 0.06 0.00 1.10 0.00 0.00 33.01 30.25 1pj4 s GLN 464 CO 0.41 -1.14 1.84 0.41 -0.55 0.00 0.00 175.29 176.27 1pj4 n GLY 465 N 4.83 2.93 3.26 2.59 0.00 0.13 -4.90 105.19 114.03 1pj4 n GLY 465 Ca -0.07 -1.48 -0.28 0.00 0.00 0.00 0.00 46.02 44.20 1pj4 n GLY 465 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pj4 s ASN 466 N 4.06 2.64 0.00 1.61 3.84 -1.26 -4.19 114.94 121.64 1pj4 s ASN 466 Ca 0.53 -0.47 0.02 0.00 0.21 0.00 0.00 52.86 53.15 1pj4 s ASN 466 Cb 0.06 -0.26 0.11 0.00 -0.55 0.00 0.00 41.25 40.61 1pj4 s ASN 466 CO 0.05 0.23 0.89 -0.46 -2.79 0.00 0.00 177.10 175.02 1pj4 n ASN 467 N 2.18 0.00 0.31 -4.21 0.23 -1.26 -2.20 115.26 110.31 1pj4 n ASN 467 Ca -0.16 0.26 0.17 0.00 -0.53 0.00 0.00 54.58 54.32 1pj4 n ASN 467 Cb 0.53 -0.30 0.99 0.00 -2.08 0.00 0.00 39.78 38.92 1pj4 n ASN 467 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1pj4 h VAL 468 N 0.00 0.39 0.00 3.53 3.04 -1.95 0.26 116.25 121.53 1pj4 h VAL 468 Ca 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 1pj4 h VAL 468 Cb 0.02 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.32 1pj4 h VAL 468 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.57 175.34 1pj4 n TYR 469 N -3.64 0.60 -0.03 3.17 4.02 -0.93 -4.34 117.16 116.00 1pj4 n TYR 469 Ca -0.03 0.19 -0.07 0.00 -0.01 0.00 0.00 57.90 57.99 1pj4 n TYR 469 Cb 0.08 -0.82 -0.02 0.00 -0.02 0.00 0.00 39.34 38.56 1pj4 n TYR 469 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1pj4 n ILE 470 N -2.01 1.04 0.13 -0.72 2.08 0.84 -4.76 119.36 115.97 1pj4 n ILE 470 Ca 0.05 0.11 0.10 0.00 0.56 0.00 0.00 62.75 63.57 1pj4 n ILE 470 Cb 0.33 -1.79 0.60 0.00 -0.75 0.00 0.00 39.64 38.02 1pj4 n ILE 470 CO 0.00 0.00 0.00 2.19 0.56 0.00 0.00 176.55 179.30 1pj4 h PHE 471 N -0.40 0.14 -0.13 1.39 -5.15 -1.57 -2.26 116.94 108.96 1pj4 h PHE 471 Ca -0.12 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.64 1pj4 h PHE 471 Cb 0.75 -0.05 -0.01 0.00 0.22 0.00 0.00 35.95 36.87 1pj4 h PHE 471 CO -0.11 0.08 0.03 -1.35 -2.00 0.00 0.00 178.31 174.95 1pj4 h PRO 472 N 0.14 0.21 -0.58 6.09 0.11 -1.82 0.21 132.00 136.36 1pj4 h PRO 472 Ca 0.10 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.07 1pj4 h PRO 472 Cb 0.23 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 1pj4 h PRO 472 CO -0.01 0.39 0.01 0.78 -0.21 0.00 0.00 178.00 178.96 1pj4 h GLY 473 N 0.00 1.10 1.05 -0.55 0.00 -1.69 -1.95 103.07 101.03 1pj4 h GLY 473 Ca 0.04 -0.80 -0.13 0.00 0.00 0.00 0.00 47.33 46.43 1pj4 h GLY 473 CO 0.00 0.74 -0.29 -2.08 0.00 0.00 0.00 176.54 174.91 1pj4 h VAL 474 N 0.91 1.28 -0.71 4.60 2.07 -1.41 -2.45 116.25 120.56 1pj4 h VAL 474 Ca 0.17 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 1pj4 h VAL 474 Cb 0.54 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1pj4 h VAL 474 CO 0.03 0.48 0.36 0.00 0.02 0.00 0.00 177.57 178.46 1pj4 h ALA 475 N 0.77 0.91 -0.06 1.67 0.00 -0.88 -1.36 119.26 120.30 1pj4 h ALA 475 Ca 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pj4 h ALA 475 Cb 0.86 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1pj4 h ALA 475 CO 0.08 0.45 0.03 1.25 0.00 0.00 0.00 179.25 181.06 1pj4 h LEU 476 N 0.98 0.07 -0.13 0.00 5.85 -1.27 -1.71 115.31 119.11 1pj4 h LEU 476 Ca 0.25 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1pj4 h LEU 476 Cb 0.08 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1pj4 h LEU 476 CO -0.04 0.14 -0.04 0.00 -0.34 0.00 0.00 178.44 178.16 1pj4 h ALA 477 N 0.93 0.08 -0.90 1.25 0.00 -1.24 -0.37 119.26 119.02 1pj4 h ALA 477 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1pj4 h ALA 477 Cb 0.09 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1pj4 h ALA 477 CO -0.00 -0.49 0.57 0.28 0.00 0.00 0.00 179.25 179.60 1pj4 h VAL 478 N -0.02 1.24 -0.07 0.00 2.07 -1.17 -0.38 116.25 117.92 1pj4 h VAL 478 Ca 0.07 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1pj4 h VAL 478 Cb 0.12 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.84 1pj4 h VAL 478 CO -0.15 0.24 -0.04 0.40 0.02 0.00 0.00 177.57 178.05 1pj4 h ILE 479 N 1.23 1.33 -0.10 4.57 2.04 -0.99 -2.16 117.51 123.43 1pj4 h ILE 479 Ca 0.32 -1.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.09 1pj4 h ILE 479 Cb -0.09 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1pj4 h ILE 479 CO -0.07 0.29 -0.15 -0.07 0.00 0.00 0.00 178.15 178.15 1pj4 h LEU 480 N -0.22 0.15 -1.04 1.44 3.38 -0.83 -2.65 115.31 115.53 1pj4 h LEU 480 Ca 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1pj4 h LEU 480 Cb 0.48 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1pj4 h LEU 480 CO 0.01 0.32 0.00 0.00 0.09 0.00 0.00 178.44 178.86 1pj4 n ASN 482 N 0.27 -5.11 -4.77 0.00 5.03 -0.99 -0.56 115.26 109.12 1pj4 n ASN 482 Ca 0.18 -0.70 -0.40 0.00 0.87 0.00 0.00 54.58 54.54 1pj4 n ASN 482 Cb 0.37 -4.07 0.00 0.00 -1.02 0.00 0.00 39.78 35.06 1pj4 n ASN 482 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1pj4 s THR 483 N -3.28 2.39 -0.17 3.41 2.01 -0.85 -3.77 115.64 115.40 1pj4 s THR 483 Ca 0.63 0.35 0.07 0.00 0.31 0.00 0.00 61.69 63.04 1pj4 s THR 483 Cb -0.31 -3.20 -0.23 0.00 0.01 0.00 0.00 72.50 68.77 1pj4 s THR 483 CO 0.78 0.05 0.18 0.54 -0.69 0.00 0.00 174.62 175.47 1pj4 n ARG 484 N -0.04 0.68 -3.90 4.92 1.74 -1.26 -4.84 116.66 113.96 1pj4 n ARG 484 Ca 0.04 0.16 -0.10 0.00 -0.77 0.00 0.00 57.85 57.18 1pj4 n ARG 484 Cb 0.43 -1.62 -0.10 0.00 -1.02 0.00 0.00 32.46 30.15 1pj4 n ARG 484 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1pj4 s HIS 485 N -2.54 0.12 -0.27 -1.55 3.76 -1.26 -3.03 115.29 110.53 1pj4 s HIS 485 Ca -0.19 -0.30 -0.04 0.00 -0.15 0.00 0.00 55.06 54.37 1pj4 s HIS 485 Cb 0.07 -0.10 0.01 0.00 1.11 0.00 0.00 32.58 33.68 1pj4 s HIS 485 CO 0.75 -0.29 0.01 0.42 -0.85 0.00 0.00 174.74 174.78 1pj4 s ILE 486 N -1.74 3.49 0.59 0.60 1.01 -1.26 -5.01 121.20 118.87 1pj4 s ILE 486 Ca -0.12 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.65 1pj4 s ILE 486 Cb -0.06 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 1pj4 s ILE 486 CO -0.01 0.16 0.92 -0.94 0.00 0.00 0.00 174.94 175.07 1pj4 s SER 487 N 1.43 5.80 0.46 3.58 1.04 -1.26 -4.96 113.70 119.79 1pj4 s SER 487 Ca 0.02 0.91 0.23 0.00 0.48 0.00 0.00 55.95 57.59 1pj4 s SER 487 Cb -0.17 -1.95 1.12 0.00 0.10 0.00 0.00 66.02 65.12 1pj4 s SER 487 CO -0.01 -0.97 1.94 0.44 0.98 0.00 0.00 173.24 175.62 1pj4 h ASP 488 N -0.17 0.00 0.40 7.02 3.32 -2.01 -2.37 116.42 122.61 1pj4 h ASP 488 Ca -0.46 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 1pj4 h ASP 488 Cb 1.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 1pj4 h ASP 488 CO 0.61 0.21 -0.02 0.77 -1.72 0.00 0.00 179.24 179.10 1pj4 h SER 489 N 0.00 0.00 -0.51 6.45 4.64 -1.99 -1.87 113.55 120.27 1pj4 h SER 489 Ca -0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1pj4 h SER 489 Cb 0.54 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 1pj4 h SER 489 CO 0.03 0.02 -0.00 0.58 -0.87 0.00 0.00 176.83 176.59 1pj4 h VAL 490 N 0.00 1.26 0.00 0.95 2.07 -1.81 -1.71 116.25 117.02 1pj4 h VAL 490 Ca -0.00 -1.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.36 1pj4 h VAL 490 Cb 0.23 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1pj4 h VAL 490 CO 0.00 0.38 -0.35 -0.26 0.02 0.00 0.00 177.57 177.37 1pj4 h PHE 491 N 0.77 0.00 -0.35 1.57 -1.00 -1.50 -0.94 116.94 115.49 1pj4 h PHE 491 Ca 0.14 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.79 1pj4 h PHE 491 Cb 0.52 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.08 1pj4 h PHE 491 CO 0.04 0.35 -0.31 1.25 -1.61 0.00 0.00 178.31 178.02 1pj4 h LEU 492 N 0.00 0.89 -0.53 1.54 6.46 -1.17 -0.58 115.31 121.92 1pj4 h LEU 492 Ca -0.00 -0.46 -0.13 0.00 -0.12 0.00 0.00 57.88 57.17 1pj4 h LEU 492 Cb 0.87 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 1pj4 h LEU 492 CO 0.05 1.16 -0.25 -0.33 -0.62 0.00 0.00 178.44 178.45 1pj4 h GLU 493 N 0.63 0.93 -0.64 1.25 4.39 -1.06 -2.04 114.58 118.03 1pj4 h GLU 493 Ca 0.06 -0.41 -0.03 0.00 0.34 0.00 0.00 59.36 59.33 1pj4 h GLU 493 Cb 0.90 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.49 1pj4 h GLU 493 CO 0.08 1.06 0.30 0.00 -1.16 0.00 0.00 179.01 179.30 1pj4 h ALA 494 N 0.92 0.83 -0.59 3.43 0.00 -1.03 0.62 119.26 123.43 1pj4 h ALA 494 Ca 0.10 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1pj4 h ALA 494 Cb 0.81 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1pj4 h ALA 494 CO 0.07 0.40 0.27 0.00 0.00 0.00 0.00 179.25 179.99 1pj4 h ALA 495 N 1.13 0.78 -0.35 0.00 0.00 -0.79 -0.45 119.26 119.57 1pj4 h ALA 495 Ca 0.22 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1pj4 h ALA 495 Cb 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1pj4 h ALA 495 CO -0.03 -0.11 -0.34 0.87 0.00 0.00 0.00 179.25 179.64 1pj4 h LYS 496 N 0.49 0.80 -0.11 0.00 1.57 -0.83 -2.61 116.57 115.87 1pj4 h LYS 496 Ca 0.28 -0.38 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 1pj4 h LYS 496 Cb 0.28 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1pj4 h LYS 496 CO -0.24 1.01 -0.24 0.00 -0.57 0.00 0.00 179.45 179.41 1pj4 h ALA 497 N 0.95 1.38 -0.05 3.86 0.00 -0.10 -1.53 119.26 123.76 1pj4 h ALA 497 Ca 0.07 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1pj4 h ALA 497 Cb 0.88 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1pj4 h ALA 497 CO 0.08 0.43 -0.12 1.25 0.00 0.00 0.00 179.25 180.89 1pj4 h LEU 498 N 0.18 0.20 -1.21 0.00 5.85 -0.98 -3.27 115.31 116.09 1pj4 h LEU 498 Ca 0.03 -0.58 -0.07 0.00 0.84 0.00 0.00 57.88 58.10 1pj4 h LEU 498 Cb 0.53 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1pj4 h LEU 498 CO 0.04 0.74 -0.34 0.00 -0.34 0.00 0.00 178.44 178.54 1pj4 h THR 499 N -0.34 0.99 0.00 1.05 1.03 -1.37 -2.84 112.91 111.44 1pj4 h THR 499 Ca -0.00 -1.30 0.00 0.00 -0.01 0.00 0.00 66.41 65.10 1pj4 h THR 499 Cb 0.72 1.76 0.00 0.00 -1.07 0.00 0.00 68.15 69.55 1pj4 h THR 499 CO 0.03 0.34 0.00 -1.54 -0.01 0.00 0.00 175.52 174.33 1pj4 n SER 500 N -3.75 0.00 -0.47 0.00 3.41 -0.59 -2.22 113.62 110.00 1pj4 n SER 500 Ca -0.01 -0.27 0.11 0.00 -0.26 0.00 0.00 58.87 58.44 1pj4 n SER 500 Cb 0.43 -0.18 0.03 0.00 -0.26 0.00 0.00 64.21 64.24 1pj4 n SER 500 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pj4 n GLN 501 N -1.18 1.17 -2.48 4.33 6.02 -1.07 -4.90 117.38 119.27 1pj4 n GLN 501 Ca 0.12 -0.95 -0.43 0.00 -0.01 0.00 0.00 57.00 55.73 1pj4 n GLN 501 Cb 0.13 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 29.89 1pj4 n GLN 501 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1pj4 s LEU 502 N -2.48 4.16 0.23 1.08 0.20 -0.94 -4.89 118.68 116.03 1pj4 s LEU 502 Ca 0.19 1.61 -0.24 0.00 0.69 0.00 0.00 54.13 56.38 1pj4 s LEU 502 Cb 0.18 -3.54 -0.09 0.00 -0.43 0.00 0.00 46.19 42.32 1pj4 s LEU 502 CO 0.57 -0.74 0.82 0.42 -0.29 0.00 0.00 176.35 177.13 1pj4 s THR 503 N 3.43 4.36 0.46 3.68 -4.23 -1.26 -4.95 115.64 117.13 1pj4 s THR 503 Ca 0.52 1.65 0.22 0.00 -1.18 0.00 0.00 61.69 62.90 1pj4 s THR 503 Cb -0.20 -4.05 0.40 0.00 1.34 0.00 0.00 72.50 70.00 1pj4 s THR 503 CO 0.12 0.34 1.89 0.44 -0.54 0.00 0.00 174.62 176.87 1pj4 h ASP 504 N 3.77 0.25 -0.25 3.99 3.32 -2.00 0.42 116.42 125.91 1pj4 h ASP 504 Ca -0.47 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.54 1pj4 h ASP 504 Cb 1.20 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 1pj4 h ASP 504 CO 0.66 0.11 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.92 1pj4 h GLU 505 N 0.25 0.59 0.00 3.56 4.39 -2.01 -2.44 114.58 118.93 1pj4 h GLU 505 Ca 0.42 -0.15 -0.13 0.00 0.34 0.00 0.00 59.36 59.83 1pj4 h GLU 505 Cb 1.23 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 1pj4 h GLU 505 CO -0.10 0.64 -0.64 0.93 -1.16 0.00 0.00 179.01 178.68 1pj4 h GLU 506 N 0.56 0.00 -0.46 2.33 5.08 -1.30 -3.13 114.58 117.66 1pj4 h GLU 506 Ca 0.11 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 1pj4 h GLU 506 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1pj4 h GLU 506 CO 0.02 0.64 -0.23 1.25 -1.00 0.00 0.00 179.01 179.69 1pj4 h LEU 507 N 0.00 0.98 -0.78 1.33 5.85 -0.99 -2.43 115.31 119.27 1pj4 h LEU 507 Ca -0.01 -0.37 0.09 0.00 0.84 0.00 0.00 57.88 58.43 1pj4 h LEU 507 Cb 1.33 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 42.01 1pj4 h LEU 507 CO 0.08 1.16 0.43 0.00 -0.34 0.00 0.00 178.44 179.77 1pj4 h ALA 508 N 0.91 1.10 -0.02 1.25 0.00 -1.40 0.67 119.26 121.77 1pj4 h ALA 508 Ca 0.10 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1pj4 h ALA 508 Cb 0.80 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1pj4 h ALA 508 CO 0.07 0.06 0.05 1.96 0.00 0.00 0.00 179.25 181.38 1pj4 h GLN 509 N 0.73 0.00 0.00 0.00 4.20 -1.55 -3.44 115.11 115.05 1pj4 h GLN 509 Ca 0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.08 1pj4 h GLN 509 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1pj4 h GLN 509 CO -0.25 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.32 1pj4 n GLY 510 N -1.20 1.37 3.64 3.46 0.00 0.23 -2.57 105.19 110.11 1pj4 n GLY 510 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1pj4 n GLY 510 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pj4 s ARG 511 N -0.23 4.17 0.00 1.61 0.52 -0.93 -4.25 118.95 119.84 1pj4 s ARG 511 Ca 0.00 0.76 0.24 0.00 -0.52 0.00 0.00 55.73 56.22 1pj4 s ARG 511 Cb 0.00 -3.63 0.40 0.00 0.52 0.00 0.00 34.95 32.24 1pj4 s ARG 511 CO 0.00 -0.43 1.38 1.28 0.02 0.00 0.00 175.30 177.55 1pj4 n LEU 512 N 5.73 2.77 -3.87 2.53 4.77 -1.26 -4.04 117.00 123.63 1pj4 n LEU 512 Ca 0.02 -0.99 -0.10 0.00 -0.03 0.00 0.00 56.01 54.91 1pj4 n LEU 512 Cb 0.48 -0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 1pj4 n LEU 512 CO 0.45 0.50 -0.15 -0.31 -1.33 0.00 0.00 177.39 176.55 1pj4 s TYR 513 N -1.90 0.08 0.60 -1.77 1.51 -1.26 -4.49 117.35 110.13 1pj4 s TYR 513 Ca 0.32 -0.28 -0.19 0.00 -1.01 0.00 0.00 57.07 55.91 1pj4 s TYR 513 Cb 0.21 -0.06 -0.03 0.00 -0.11 0.00 0.00 41.96 41.96 1pj4 s TYR 513 CO 0.31 -0.37 1.23 -2.30 -1.11 0.00 0.00 175.55 173.30 1pj4 n PRO 514 N 0.94 1.24 -1.64 -1.71 -0.02 -1.26 -4.87 135.00 127.68 1pj4 n PRO 514 Ca -0.20 0.47 -0.47 0.00 -2.02 0.00 0.00 63.50 61.28 1pj4 n PRO 514 Cb 0.58 -2.45 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 1pj4 n PRO 514 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1pj4 n PRO 515 N -1.39 1.75 0.25 0.52 -0.02 -1.26 -4.86 135.00 130.00 1pj4 n PRO 515 Ca 0.14 0.63 0.13 0.00 -2.02 0.00 0.00 63.50 62.37 1pj4 n PRO 515 Cb 0.47 -2.26 0.79 0.00 -0.02 0.00 0.00 33.50 32.47 1pj4 n PRO 515 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1pj4 h LEU 516 N 4.34 0.00 -2.36 2.45 5.85 -2.01 -0.54 115.31 123.05 1pj4 h LEU 516 Ca -0.45 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 1pj4 h LEU 516 Cb 1.29 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 1pj4 h LEU 516 CO 0.77 0.00 -0.03 0.00 -0.34 0.00 0.00 178.44 178.83 1pj4 h ALA 517 N 1.95 1.16 -0.50 1.25 0.00 -1.96 -1.88 119.26 119.28 1pj4 h ALA 517 Ca 0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1pj4 h ALA 517 Cb 0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1pj4 h ALA 517 CO -0.00 0.04 0.07 0.09 0.00 0.00 0.00 179.25 179.45 1pj4 n ASN 518 N -3.36 4.71 -0.18 0.00 3.02 -0.21 -4.67 115.26 114.56 1pj4 n ASN 518 Ca -0.02 -3.09 0.14 0.00 -0.03 0.00 0.00 54.58 51.57 1pj4 n ASN 518 Cb 0.16 -0.65 0.46 0.00 -0.61 0.00 0.00 39.78 39.14 1pj4 n ASN 518 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1pj4 h ILE 519 N 2.74 0.83 0.28 2.41 6.09 -1.41 -1.21 117.51 127.23 1pj4 h ILE 519 Ca 0.08 -0.17 -0.01 0.00 -1.37 0.00 0.00 64.86 63.39 1pj4 h ILE 519 Cb 1.89 0.28 0.00 0.00 0.47 0.00 0.00 36.82 39.46 1pj4 h ILE 519 CO 0.47 0.09 -0.14 1.56 -3.07 0.00 0.00 178.15 177.06 1pj4 h GLN 520 N 0.50 -0.36 -0.66 2.19 4.20 -1.83 -0.96 115.11 118.18 1pj4 h GLN 520 Ca 0.38 0.02 -0.07 0.00 0.06 0.00 0.00 58.65 59.04 1pj4 h GLN 520 Cb 0.75 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.59 1pj4 h GLN 520 CO -0.13 -0.14 0.14 1.49 -0.67 0.00 0.00 178.83 179.51 1pj4 h GLU 521 N -0.53 1.06 -0.71 1.46 4.81 -1.76 -2.52 114.58 116.40 1pj4 h GLU 521 Ca -0.04 -0.26 -0.07 0.00 -0.13 0.00 0.00 59.36 58.87 1pj4 h GLU 521 Cb 0.39 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1pj4 h GLU 521 CO 0.06 0.95 0.18 0.28 -0.73 0.00 0.00 179.01 179.75 1pj4 h VAL 522 N 1.01 1.26 -0.55 0.32 2.07 -1.17 -1.68 116.25 117.51 1pj4 h VAL 522 Ca 0.21 -0.97 -0.10 0.00 0.82 0.00 0.00 66.70 66.66 1pj4 h VAL 522 Cb 0.38 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1pj4 h VAL 522 CO 0.01 0.37 -0.04 0.28 0.02 0.00 0.00 177.57 178.21 1pj4 h SER 523 N 1.08 0.95 -0.28 0.57 0.02 -0.98 -1.36 113.55 113.55 1pj4 h SER 523 Ca 0.22 -0.28 -0.11 0.00 -0.84 0.00 0.00 61.79 60.79 1pj4 h SER 523 Cb 0.37 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1pj4 h SER 523 CO 0.00 1.03 -0.20 0.40 -1.14 0.00 0.00 176.83 176.92 1pj4 h ILE 524 N 0.88 1.27 -0.32 3.27 1.08 -1.30 -1.15 117.51 121.24 1pj4 h ILE 524 Ca 0.15 -1.30 -0.11 0.00 -0.39 0.00 0.00 64.86 63.21 1pj4 h ILE 524 Cb 0.57 1.19 -0.01 0.00 -3.07 0.00 0.00 36.82 35.50 1pj4 h ILE 524 CO 0.03 0.43 -0.27 0.78 -0.69 0.00 0.00 178.15 178.44 1pj4 h ASN 525 N 0.66 0.67 -0.31 1.72 2.35 -1.04 -1.15 115.58 118.48 1pj4 h ASN 525 Ca 0.10 -0.25 -0.13 0.00 -0.55 0.00 0.00 56.30 55.47 1pj4 h ASN 525 Cb 0.70 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1pj4 h ASN 525 CO 0.05 0.91 -0.28 0.40 -1.65 0.00 0.00 177.43 176.87 1pj4 h ILE 526 N 0.57 1.27 -0.55 2.81 2.04 -1.00 -2.29 117.51 120.36 1pj4 h ILE 526 Ca 0.07 -1.42 -0.02 0.00 1.00 0.00 0.00 64.86 64.49 1pj4 h ILE 526 Cb 0.75 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1pj4 h ILE 526 CO 0.06 0.47 0.25 0.00 0.00 0.00 0.00 178.15 178.94 1pj4 h ALA 527 N 0.98 0.71 -0.19 1.87 0.00 -0.91 0.52 119.26 122.24 1pj4 h ALA 527 Ca 0.08 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pj4 h ALA 527 Cb 0.82 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1pj4 h ALA 527 CO 0.07 0.29 0.11 0.82 0.00 0.00 0.00 179.25 180.54 1pj4 h ILE 528 N 0.74 1.08 -0.49 0.00 2.04 -1.11 0.13 117.51 119.91 1pj4 h ILE 528 Ca 0.19 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1pj4 h ILE 528 Cb 0.14 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1pj4 h ILE 528 CO -0.02 0.08 0.31 0.11 0.00 0.00 0.00 178.15 178.63 1pj4 h LYS 529 N 0.22 0.65 -0.45 2.37 1.79 -1.15 -1.00 116.57 119.00 1pj4 h LYS 529 Ca 0.07 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.40 1pj4 h LYS 529 Cb 0.03 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 1pj4 h LYS 529 CO -0.01 0.45 -0.09 0.28 -1.08 0.00 0.00 179.45 179.00 1pj4 h VAL 530 N 0.66 1.26 -0.53 0.50 2.07 -0.66 -1.38 116.25 118.17 1pj4 h VAL 530 Ca 0.18 -1.15 -0.11 0.00 0.82 0.00 0.00 66.70 66.43 1pj4 h VAL 530 Cb -0.05 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1pj4 h VAL 530 CO -0.04 0.40 -0.12 0.71 0.02 0.00 0.00 177.57 178.54 1pj4 h THR 531 N 0.73 1.27 -0.63 2.57 1.35 -0.38 0.13 112.91 117.95 1pj4 h THR 531 Ca 0.13 -1.27 -0.03 0.00 -0.55 0.00 0.00 66.41 64.69 1pj4 h THR 531 Cb 0.57 0.98 -0.03 0.00 -1.73 0.00 0.00 68.15 67.94 1pj4 h THR 531 CO 0.04 0.45 0.27 -0.33 -0.25 0.00 0.00 175.52 175.69 1pj4 h GLU 532 N 0.89 0.90 -0.28 4.72 5.08 -0.94 -1.97 114.58 122.99 1pj4 h GLU 532 Ca 0.14 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1pj4 h GLU 532 Cb 0.68 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1pj4 h GLU 532 CO 0.05 0.73 -0.21 -0.92 -1.00 0.00 0.00 179.01 177.65 1pj4 h TYR 533 N 0.90 0.75 -0.78 4.33 3.20 -0.69 -1.91 116.97 122.77 1pj4 h TYR 533 Ca 0.22 -0.21 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1pj4 h TYR 533 Cb 0.14 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.21 1pj4 h TYR 533 CO 0.01 0.92 0.43 -0.07 -1.64 0.00 0.00 178.16 177.81 1pj4 h LEU 534 N 0.37 0.97 -0.20 2.82 3.38 -0.41 -1.93 115.31 120.31 1pj4 h LEU 534 Ca 0.05 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1pj4 h LEU 534 Cb 0.76 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1pj4 h LEU 534 CO 0.06 0.78 -0.27 1.88 0.09 0.00 0.00 178.44 180.98 1pj4 h TYR 535 N 1.08 0.65 -0.05 1.13 -1.99 -1.38 -2.74 116.97 113.67 1pj4 h TYR 535 Ca 0.28 -0.21 -0.00 0.00 2.00 0.00 0.00 58.73 60.79 1pj4 h TYR 535 Cb 0.02 -0.13 -0.00 0.00 2.00 0.00 0.00 36.73 38.62 1pj4 h TYR 535 CO 0.00 0.92 0.02 0.00 -0.00 0.00 0.00 178.16 179.10 1pj4 h ALA 536 N 0.62 1.94 -0.61 3.88 0.00 -1.20 -2.18 119.26 121.72 1pj4 h ALA 536 Ca 0.02 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1pj4 h ALA 536 Cb 0.84 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.48 1pj4 h ALA 536 CO 0.06 0.05 0.20 0.09 0.00 0.00 0.00 179.25 179.65 1pj4 n ASN 537 N -4.51 4.13 -3.02 0.00 3.02 -0.74 -5.09 115.26 109.04 1pj4 n ASN 537 Ca -0.02 -3.33 -0.05 0.00 -0.03 0.00 0.00 54.58 51.15 1pj4 n ASN 537 Cb 0.10 -0.70 0.01 0.00 -0.61 0.00 0.00 39.78 38.57 1pj4 n ASN 537 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1pj4 n LYS 538 N -0.50 -1.85 -0.38 3.52 4.76 -0.82 -5.02 118.16 117.87 1pj4 n LYS 538 Ca 0.38 1.72 0.00 0.00 -2.87 0.00 0.00 58.31 57.54 1pj4 n LYS 538 Cb 1.27 -3.16 0.00 0.00 -1.84 0.00 0.00 35.03 31.30 1pj4 n LYS 538 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pj4 n ALA 540 N 0.78 -1.00 -0.02 7.82 0.00 -1.05 -5.03 120.51 122.01 1pj4 n ALA 540 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1pj4 n ALA 540 Cb 0.33 -0.15 0.05 0.00 0.00 0.00 0.00 19.45 19.69 1pj4 n ALA 540 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pj4 n PHE 541 N -0.05 0.15 -2.38 0.00 3.01 0.27 -4.91 117.46 113.55 1pj4 n PHE 541 Ca 0.00 -0.40 -0.43 0.00 1.01 0.00 0.00 57.45 57.64 1pj4 n PHE 541 Cb 0.00 -0.03 -0.02 0.00 -0.01 0.00 0.00 39.48 39.41 1pj4 n PHE 541 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1pj4 s ARG 542 N -0.87 4.26 0.07 -1.08 3.00 -0.88 -4.94 118.95 118.51 1pj4 s ARG 542 Ca 0.09 1.73 0.09 0.00 -1.00 0.00 0.00 55.73 56.64 1pj4 s ARG 542 Cb 0.05 -3.71 -0.03 0.00 0.00 0.00 0.00 34.95 31.25 1pj4 s ARG 542 CO 0.06 -0.64 -0.26 1.52 0.00 0.00 0.00 175.30 175.98 1pj4 s TYR 543 N 3.13 2.23 0.80 5.12 -0.85 -1.26 -4.02 117.35 122.50 1pj4 s TYR 543 Ca 0.57 -0.40 -0.12 0.00 -0.52 0.00 0.00 57.07 56.61 1pj4 s TYR 543 Cb -0.24 -1.29 0.07 0.00 0.38 0.00 0.00 41.96 40.87 1pj4 s TYR 543 CO 0.19 0.18 1.12 -1.25 -1.52 0.00 0.00 175.55 174.26 1pj4 s PRO 544 N -1.48 2.08 -0.02 -3.49 0.04 -1.26 -5.09 135.00 125.79 1pj4 s PRO 544 Ca 0.12 0.46 -0.30 0.00 0.04 0.00 0.00 61.00 61.32 1pj4 s PRO 544 Cb -0.10 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1pj4 s PRO 544 CO 0.03 -1.58 1.10 -2.00 0.04 0.00 0.00 177.00 174.59 1pj4 s GLU 545 N -5.28 4.45 0.47 4.56 2.12 -1.26 -5.00 118.70 118.76 1pj4 s GLU 545 Ca 0.61 1.58 -0.23 0.00 0.36 0.00 0.00 54.97 57.29 1pj4 s GLU 545 Cb -0.13 -3.47 -0.07 0.00 0.26 0.00 0.00 34.13 30.72 1pj4 s GLU 545 CO 0.53 -0.26 1.20 -1.25 -0.54 0.00 0.00 175.26 174.94 1pj4 s PRO 546 N 1.52 3.65 -0.06 4.30 0.04 -1.26 -4.95 135.00 138.24 1pj4 s PRO 546 Ca 0.54 1.85 -0.25 0.00 0.04 0.00 0.00 61.00 63.19 1pj4 s PRO 546 Cb -0.24 -2.38 -0.24 0.00 0.04 0.00 0.00 34.50 31.68 1pj4 s PRO 546 CO 0.25 -0.66 1.02 1.49 0.04 0.00 0.00 177.00 179.14 1pj4 h GLU 547 N 1.95 0.15 -4.29 4.56 4.81 -2.05 -3.41 114.58 116.31 1pj4 h GLU 547 Ca -0.50 -0.17 -0.73 0.00 -0.13 0.00 0.00 59.36 57.84 1pj4 h GLU 547 Cb 1.26 0.05 -0.27 0.00 0.63 0.00 0.00 28.75 30.41 1pj4 h GLU 547 CO 0.60 0.91 -0.37 0.34 -0.73 0.00 0.00 179.01 179.76 1pj4 s ASP 548 N -6.29 5.82 0.39 1.04 -1.08 -1.26 -4.96 116.67 110.34 1pj4 s ASP 548 Ca -0.16 -1.75 0.10 0.00 -0.52 0.00 0.00 52.55 50.22 1pj4 s ASP 548 Cb 0.01 -2.06 0.79 0.00 -1.46 0.00 0.00 42.92 40.20 1pj4 s ASP 548 CO 0.74 -0.69 1.91 0.11 0.52 0.00 0.00 175.17 177.76 1pj4 h LYS 549 N 8.55 0.20 -0.37 4.34 1.79 -1.96 -2.17 116.57 126.95 1pj4 h LYS 549 Ca -0.24 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.11 1pj4 h LYS 549 Cb 1.08 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.69 1pj4 h LYS 549 CO 0.88 0.36 -0.04 0.00 -1.08 0.00 0.00 179.45 179.57 1pj4 h ALA 550 N 1.66 0.50 -0.19 3.86 0.00 -1.93 -1.71 119.26 121.45 1pj4 h ALA 550 Ca 0.04 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1pj4 h ALA 550 Cb 0.40 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1pj4 h ALA 550 CO 0.02 0.31 -0.38 -0.22 0.00 0.00 0.00 179.25 178.98 1pj4 h LYS 551 N 0.48 0.41 -0.39 0.00 3.64 -1.96 -2.20 116.57 116.56 1pj4 h LYS 551 Ca 0.10 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1pj4 h LYS 551 Cb 0.53 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1pj4 h LYS 551 CO 0.03 0.74 0.20 -0.92 -2.27 0.00 0.00 179.45 177.23 1pj4 h TYR 552 N 0.35 0.55 -0.04 1.91 3.20 -1.13 -2.27 116.97 119.54 1pj4 h TYR 552 Ca 0.03 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1pj4 h TYR 552 Cb 0.83 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1pj4 h TYR 552 CO 0.02 0.44 -0.07 0.28 -1.64 0.00 0.00 178.16 177.20 1pj4 h VAL 553 N 0.50 1.43 -0.00 1.81 2.07 -1.24 -3.30 116.25 117.51 1pj4 h VAL 553 Ca 0.14 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 1pj4 h VAL 553 Cb 0.09 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1pj4 h VAL 553 CO -0.02 0.37 -0.08 0.11 0.02 0.00 0.00 177.57 177.97 1pj4 h LYS 554 N -0.41 0.00 0.00 1.57 1.57 -1.40 -2.26 116.57 115.64 1pj4 h LYS 554 Ca 0.00 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1pj4 h LYS 554 Cb 0.64 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1pj4 h LYS 554 CO 0.02 0.08 -0.31 0.93 -0.57 0.00 0.00 179.45 179.60 1pj4 h GLU 555 N 0.00 0.00 -0.64 3.15 5.08 -1.50 -3.28 114.58 117.40 1pj4 h GLU 555 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pj4 h GLU 555 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1pj4 h GLU 555 CO 0.01 0.31 0.00 0.54 -1.00 0.00 0.00 179.01 178.87 1pj4 n ARG 556 N -3.39 2.67 -2.81 2.33 1.74 -0.86 -4.95 116.66 111.40 1pj4 n ARG 556 Ca 0.00 -2.55 -0.41 0.00 -0.77 0.00 0.00 57.85 54.12 1pj4 n ARG 556 Cb 0.51 -1.54 -0.04 0.00 -1.02 0.00 0.00 32.46 30.36 1pj4 n ARG 556 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1pj4 s THR 557 N -1.11 4.68 0.43 0.55 -4.23 -1.20 -4.93 115.64 109.83 1pj4 s THR 557 Ca 0.46 1.92 -0.25 0.00 -1.18 0.00 0.00 61.69 62.64 1pj4 s THR 557 Cb 0.24 -4.25 -0.08 0.00 1.34 0.00 0.00 72.50 69.75 1pj4 s THR 557 CO 0.32 0.29 1.22 0.86 -0.54 0.00 0.00 174.62 176.77 1pj4 s TRP 558 N 0.29 2.89 0.12 3.99 -0.00 0.10 -5.03 118.94 121.29 1pj4 s TRP 558 Ca 0.46 1.49 0.10 0.00 -0.00 0.00 0.00 56.10 58.15 1pj4 s TRP 558 Cb -0.22 -3.50 -0.04 0.00 -0.00 0.00 0.00 33.47 29.71 1pj4 s TRP 558 CO 0.27 -1.71 -0.23 0.50 -0.00 0.00 0.00 176.95 175.77 1pj4 s ARG 559 N -2.42 1.59 0.00 5.86 6.06 -1.26 -4.65 118.95 124.12 1pj4 s ARG 559 Ca 0.60 -1.26 0.23 0.00 -2.50 0.00 0.00 55.73 52.79 1pj4 s ARG 559 Cb -0.33 -1.99 1.03 0.00 0.06 0.00 0.00 34.95 33.72 1pj4 s ARG 559 CO 0.41 0.47 1.71 -1.13 -2.50 0.00 0.00 175.30 174.26 1pj4 n SER 560 N 0.94 0.97 -4.78 -2.12 3.41 -1.26 -4.88 113.62 105.90 1pj4 n SER 560 Ca -0.17 -1.51 -0.37 0.00 -0.26 0.00 0.00 58.87 56.56 1pj4 n SER 560 Cb 0.53 -0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.39 1pj4 n SER 560 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1pj4 s GLU 561 N -1.91 4.22 0.36 4.33 0.41 -1.26 -4.68 118.70 120.16 1pj4 s GLU 561 Ca 0.34 1.54 -0.28 0.00 -0.41 0.00 0.00 54.97 56.16 1pj4 s GLU 561 Cb 0.17 -2.62 -0.10 0.00 -1.78 0.00 0.00 34.13 29.81 1pj4 s GLU 561 CO 0.27 -0.10 1.30 0.71 -0.49 0.00 0.00 175.26 176.96 1pj4 s TYR 562 N -1.60 2.98 0.32 1.61 4.12 -1.26 -5.03 117.35 118.48 1pj4 s TYR 562 Ca 0.56 1.42 0.02 0.00 0.02 0.00 0.00 57.07 59.08 1pj4 s TYR 562 Cb -0.23 -3.67 -0.03 0.00 -1.52 0.00 0.00 41.96 36.51 1pj4 s TYR 562 CO 0.29 -1.92 0.50 -0.51 0.02 0.00 0.00 175.55 173.93 1pj4 s ASP 563 N -0.58 6.30 0.05 2.29 1.01 -1.26 -5.07 116.67 119.41 1pj4 s ASP 563 Ca 0.51 0.35 -0.27 0.00 0.71 0.00 0.00 52.55 53.86 1pj4 s ASP 563 Cb -0.39 -1.99 -0.05 0.00 1.01 0.00 0.00 42.92 41.50 1pj4 s ASP 563 CO 0.51 -0.23 0.85 -0.55 0.21 0.00 0.00 175.17 175.96 1pj4 s SER 564 N -4.00 7.30 -0.06 0.27 0.15 -1.26 -4.93 113.70 111.18 1pj4 s SER 564 Ca 0.38 1.56 0.16 0.00 0.70 0.00 0.00 55.95 58.76 1pj4 s SER 564 Cb -0.09 -2.51 0.55 0.00 -1.71 0.00 0.00 66.02 62.25 1pj4 s SER 564 CO 0.34 -0.06 1.46 0.18 1.20 0.00 0.00 173.24 176.36 1pj4 n LEU 565 N 3.06 3.89 -4.76 3.45 4.77 -1.26 -5.00 117.00 121.15 1pj4 n LEU 565 Ca 0.00 -2.29 -0.41 0.00 -0.03 0.00 0.00 56.01 53.29 1pj4 n LEU 565 Cb 0.50 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1pj4 n LEU 565 CO 0.49 0.80 0.91 -0.76 -1.33 0.00 0.00 177.39 177.50 1pj4 s LEU 566 N -1.53 4.47 0.61 2.23 1.43 -1.26 -5.01 118.68 119.63 1pj4 s LEU 566 Ca 0.40 2.49 -0.16 0.00 -1.03 0.00 0.00 54.13 55.83 1pj4 s LEU 566 Cb 0.25 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 1pj4 s LEU 566 CO 0.21 -0.38 1.10 -2.84 0.23 0.00 0.00 176.35 174.67 1pj4 s PRO 567 N -1.41 3.08 -0.75 1.29 0.02 -1.26 -4.92 135.00 131.05 1pj4 s PRO 567 Ca 0.48 1.40 -0.26 0.00 0.02 0.00 0.00 61.00 62.64 1pj4 s PRO 567 Cb -0.36 -1.99 0.01 0.00 0.02 0.00 0.00 34.50 32.18 1pj4 s PRO 567 CO 0.46 -1.03 1.54 0.34 -0.33 0.00 0.00 177.00 177.98 1pj4 s ASP 568 N -2.43 5.84 -0.14 2.53 -1.08 -1.26 -4.98 116.67 115.16 1pj4 s ASP 568 Ca 0.67 -0.36 -0.04 0.00 -0.52 0.00 0.00 52.55 52.30 1pj4 s ASP 568 Cb -0.20 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.67 1pj4 s ASP 568 CO 0.36 -2.04 0.01 -0.69 0.52 0.00 0.00 175.17 173.33 1pj4 s VAL 569 N 7.06 4.33 0.09 1.11 1.01 -1.26 -5.09 120.40 127.65 1pj4 s VAL 569 Ca 0.50 -0.21 -0.25 0.00 0.00 0.00 0.00 61.98 62.01 1pj4 s VAL 569 Cb -0.08 -2.89 0.07 0.00 0.00 0.00 0.00 36.38 33.47 1pj4 s VAL 569 CO 0.12 0.52 0.61 -0.72 0.00 0.00 0.00 175.10 175.63 1pj4 s TYR 570 N -0.06 -0.56 0.42 5.22 -0.85 -1.26 -5.17 117.35 115.09 1pj4 s TYR 570 Ca 0.04 0.55 -0.11 0.00 -0.52 0.00 0.00 57.07 57.03 1pj4 s TYR 570 Cb -0.13 0.49 -0.06 0.00 0.38 0.00 0.00 41.96 42.64 1pj4 s TYR 570 CO 0.02 -0.76 0.79 -1.21 -1.52 0.00 0.00 175.55 172.87 1pj4 s GLU 571 N -2.94 3.78 -0.25 -3.49 2.02 -1.26 -5.06 118.70 111.51 1pj4 s GLU 571 Ca -0.03 0.51 -0.14 0.00 0.02 0.00 0.00 54.97 55.32 1pj4 s GLU 571 Cb -0.01 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 31.82 1pj4 s GLU 571 CO -0.06 -0.07 0.34 -1.58 0.02 0.00 0.00 175.26 173.92 1pj4 s TRP 572 N -2.42 3.29 -2.00 1.61 0.52 -1.26 -5.34 118.94 113.34 1pj4 s TRP 572 Ca 0.52 0.43 0.08 0.00 0.02 0.00 0.00 56.10 57.15 1pj4 s TRP 572 Cb -0.10 -2.51 0.46 0.00 -1.15 0.00 0.00 33.47 30.17 1pj4 s TRP 572 CO 0.32 -0.12 0.92 -0.35 0.02 0.00 0.00 176.95 177.74